Mrv0541 02231219392D          

  8  8  0  0  0  0            999 V2000
   21.7215  -14.7720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0069  -16.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0069  -15.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2925  -16.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7215  -16.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2925  -17.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7215  -17.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0069  -17.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
DB06770

> <DATABASE_NAME>
drugbank

> <SMILES>
OCC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

> <INCHI_KEY>
WVDDGKGOMKODPV-UHFFFAOYSA-N

> <FORMULA>
C7H8O

> <MOLECULAR_WEIGHT>
108.1378

> <EXACT_MASS>
108.057514878

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-9.402571059315575e-09

> <JCHEM_AVERAGE_POLARIZABILITY>
11.89124151494201

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
phenylmethanol

> <ALOGPS_LOGP>
1.07

> <JCHEM_LOGP>
1.2058960486666668

> <ALOGPS_LOGS>
-0.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.019332111730257

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7903441343291844

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
32.8739

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.68e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB06770

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Benzyl alcohol

> <SYNONYMS>
(hydroxymethyl)benzene; Alcoholum benzylicum; Alcool benzylique; Alcoolbenzylique; alpha-Hydroxytoluene; Aromatic alcohol; Bentalol; Benzalalcohol; Benzalcohol; Benzenecarbinol; Benzenemethanol; Benzoyl alcohol; Benzyl alcohol; Benzylalkohol; Benzylic alcohol; Hydroxymethylbenzene; Phenylcarbinol; Phenylmethanol; Phenylmethyl alcohol; α-toluenol

> <PRODUCTS>
Acyclovix; Averteax; Baby's Own Teething Gel - 2.5%; Baby's Own Teething Gel 2.5%; Babys Own Gora Teething Lot; Babys Own Teething Gel; CVS Health Lidocaine Plus Pain Relieving; CVS Maximum Strength LIDOCAINE PLUS; Carpal Comfort; Cipro; Cipro HC; Denture Orajel Gel; Enbrel; Fast Freeze Lidocaine Roll-On; Foille Ont; Hand Sanitizer; Itch X; Itch X Gel; Itch-X; Itch-X Gel; Ivarest; Ivy Dry; Ivy-Dry Super; Meijer Pain Lidocaine Plus Relieving Analgesic; Nitrotan; ORAGESIC Oral Pain Reliever; Orajel Toothache Rinse; Protocoxil; Salonpas LIDOCAINE PLUS; Salonpas Pain Relieving Cream; Salonpas Pain Relieving Solution; Spot Care Blue One; Spot Care Green One; Thomas Formula No 17; Thomas Formula No 28; Thomas Formula No 47; Ulesfia; Walgreens Lidocaine Plus Cream; Zilactin Early Relief Cold Sore; biochemistry PAIN RELIEF FOOT ACTIVE; shing-Releev

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