Mrv1718004301812502D          

 19 21  0  0  0  0            999 V2000
    1.2674   -2.6117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0502    0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560   -1.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4425   -0.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0848   -2.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4974   -1.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0685   -1.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8550   -1.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640    1.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8039    0.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8696   -2.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7829   -0.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7829    0.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4974    0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0685    0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4974    1.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0685    1.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7829    1.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7829    2.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11219

> <DATABASE_NAME>
drugbank

> <SMILES>
CC1=CC=C(\C=C2/C3CCC(C)(C2=O)C3(C)C)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11+

> <INCHI_KEY>
HEOCBCNFKCOKBX-SDNWHVSQSA-N

> <FORMULA>
C18H22O

> <MOLECULAR_WEIGHT>
254.373

> <EXACT_MASS>
254.167065328

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
30.579130820294104

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3E)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one

> <ALOGPS_LOGP>
5.09

> <JCHEM_LOGP>
5.120853596

> <ALOGPS_LOGS>
-4.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-5.193062107361733

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
79.6796

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.10e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-methylbenzylidene camphor

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB11219

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Enzacamene

> <SYNONYMS>
(+/-)-3-(p-methylbenzylidene)camphor; 3-(4-methylbenzylidene)camphor; 3-(p-Methylbenzylidene)-DL-camphor; 4-MBC; 4-methylbenzylidene camphor; enzacamène; Enzacamene; Enzacamene D-L form; enzacameno; enzacamenum; Methyl benzylidene camphor

> <PRODUCTS>
Anthelios L - Ecran Intolerances Solaires SPF 60; Anthelios L-lait Ecran Intol.solaire SPF 60; Anthelios S - Ecran Solaire SPF 30; Anthelios-creme Solaire SPF 10; Anthelios-ecran Invisible SPF 20; Anthelios-lait Ecran Invisible SPF 20; Anthelios-stick Ecran SPF 30; Antherpos-ceralip Solaire SPF 50; Autobronzant Creme Fps 15; Autobronzant SPF 7; Bain De Soleil Protection Lotion SPF 15; Biokids SPF 35; Biotherm - Lait Ecran Total SPF 25; But First Water; CRème Auto-bronzante Bronze Dore SPF 15; CRème Solaire Bronzage Sécurité Spécial Visage SPF 15; Conju Princess UV Sun Block; Correway Sunscreen (Waterproof); Creme Auto-bronzante Bronze Dore SPF 15; Creme Ecran Total Intolerances Solaires SPF 40; Creme Ecran Total Intolerances Solaires SPF 45; Creme Protectrice Spf15; Creme Solaire Bronzage Securite Special Visage SPF 15; Creme Solaire Ecran Special Visage SPF 30; Creme Solaire Haute Protection SPF 15; Daily Defense Sunblock; Ecran Solaire SPF 15 - Crm; Ecran Total Anti-intolerance SPF 30-crm; Ecran Total Solaire Fps 25; Gel Creme Protecteur SPF 15; Gelee Fraiche Bronz.hydratante SPF 8; Gelee Fraicheur Bronzage Eclat SPF 8; Gelée Fraîche Bronzante Hydratante Fps 8; Glamtox SPF 18; Lait Ecran Extreme SPF 60; Lait Protecteur Hydro-satinant Spf15; Lait Solaire Ecran Total SPF 25; Lait Solaire Haute Protection SPF 15; Lait Écran Total SPF 25; Lancome Creme Ecran Total SPF 25; Lancome Lait Ecran Total Hydro-satin.spf25; Lancome-creme Autobronzante Visage Crm; Laser Block 100 sunblock; Lotion Sport; MediSpa SunSpray sunblock; MediSpa Sunblock sunblock; Mesoestetic Sun Protection SPF 30; Moisturising Sun Protection Spf50; Natural Sun AQ Body and Family Mild Sun Milk; Natural Sun AQ Total Anti-aging Essence Sun; Nwc 21 Natural Premium Bb Cream; Ombrelle - Lotion Spf30; Ombrelle Creme Ecran SPF 60; Ombrelle Lotion SPF 30; Ombrelle Lotion SPF 30 Pour Enfants; Ombrelle-lotion Spf15; Outback 2-in-1 Insect Repellent and Protective Sunscreen; Qt Sun Block; R.P. Sol; Rejuva Moisturizing Day Cream SPF 30; Roc Minesol Protect Ultra High Protection Suncare Cream SPF 60; Sebamed SPF 25 Lip Defense; Sebamed Sun Cream SPF 16; Sebamed Sun Cream SPF 20; Sebamed Sun Cream SPF 8; Sebamed Sun Lotion SPF 16; Sebamed Sun Lotion SPF 20; Sebamed Sun Lotion SPF 8; Secret Key Natural Cc Cushion Spf50 Pa / 02 Natural Cc; Secret Key Natural Cc Cushion Spf50 Plus / 01 Light Cc; Secret Key Natural Cc Cushion Spf50 Plus / 02 Natural Cc; Snik - Lot; Snik Crm 6%; Snik Lotion SPF 15; Snik Lotion SPF 38; Snik Sun Milk - Crm; Soin Solaire Autobronzant SPF 8 - Crm; Soleil Protexion Velvet Moisture SPF 30; Soleil Protexion Velvet Moisture SPF 60; Sunscreen Lotion Ecran Solaire 30; Vichy Creme Ecran Total Intol.soc. SPF 30; Vichy Lait Ecran Total Intoler.sol. SPF 30; Vichy Lait Ecran Total Special Enf.SPF 25; Vichy Lait Hydratant Bronzage Progresif Spf8; Vichy Lait Protecteur SPF 15; Vichy-creme Ecran Total SPF 25; Vichy-creme Haute Protection SPF 15; Vichy-lait Ecran Total SPF 25; mesoestetic moisturizing sun protection BROAD SPECTRUM FOR NORMAL AND DRY SKINS; Écran Solaire Spécial Rides SPF 15; Écran Total Anti-intolérances Solaires Fps 30; Écran Total Solaire SPF 25

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