Mrv0541 02231219552D          

 10 10  0  0  1  0            999 V2000
   25.3283  -11.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6138  -15.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6138  -13.0644    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.8993  -13.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8993  -14.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3283  -13.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6138  -12.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8993  -11.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6138  -14.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3283  -14.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  1  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <DATABASE_ID>
DB08921

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(=C)[C@@H]1CCC(C)=CC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1

> <INCHI_KEY>
XMGQYMWWDOXHJM-JTQLQIEISA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
17.54931315245657

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene

> <ALOGPS_LOGP>
4.50

> <JCHEM_LOGP>
3.2198126516666665

> <ALOGPS_LOGS>
-2.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
46.4803

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.57e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB08921

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
(4R)-limonene

> <SYNONYMS>
(+)-(4R)-Limonene; (+)-(R)-Limonene; (+)-4-isopropenyl-1-methylcyclohexene; (+)-Limonene; (4R)-1-methyl-4-isopropenylcyclohex-1-ene; (4R)-4-isopropenyl-1-methylcyclohexene; (R)-(+)-limonene; (R)-(+)-p-mentha-1,8-diene; (R)-1-methyl-4-(1-methylethenyl)cyclohexene; (R)-4-isopropenyl-1-methyl-1-cyclohexene; (R)-p-mentha-1,8-diene; 4βH-p-mentha-1,8-diene; D-(+)-limonene; D-Limonen; D-limonene

> <PRODUCTS>
Purifying Balance Soothing Peeling Pad; Purifying S.O.S spotgel

$$$$