Mrv1652303192001293D          

 11 11  0  0  0  0            999 V2000
    2.4266   -1.4374   -0.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7686    0.8825   -1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6161    1.6471   -0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3259    0.7119   -0.7307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5393    0.4513    1.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1079   -1.2776    0.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9644   -0.2108   -0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4740    0.9408   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7293    0.0003    0.0302 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1389   -0.9955    1.3617 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9745   -1.3541    2.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000295

> <DATABASE_NAME>
CDB

> <SMILES>
CC(=C)[C@@H]1C[C@@H](O)CC(C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-7(2)9-4-8(3)5-10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m0/s1

> <INCHI_KEY>
SFULVKXOLMZBEC-UWVGGRQHSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.237

> <EXACT_MASS>
152.120115135

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
18.221727305946974

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,5R)-3-methyl-5-(prop-1-en-2-yl)cyclohex-3-en-1-ol

> <ALOGPS_LOGP>
2.42

> <JCHEM_LOGP>
1.8330941246666663

> <ALOGPS_LOGS>
-1.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.608230218427995

> <JCHEM_PKA_STRONGEST_BASIC>
-1.2205601024595953

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.1498

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.97e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,5R)-3-methyl-5-(prop-1-en-2-yl)cyclohex-3-en-1-ol

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000295

> <GENERIC_NAME>
m-Mentha-1,8(9)-dien-5-ol

$$$$