Mrv1652303192001293D          

 11 12  0  0  0  0            999 V2000
    2.5664    0.9893   -0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146   -0.8789    1.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6965    1.2950   -0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1671    0.6816    1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3474   -1.4509   -0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9216   -0.3556    0.0576 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6152    0.4653   -1.0047 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3030    0.9177   -0.4187 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7313   -0.9934   -0.7386 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4362   -0.2546    0.0630 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6461   -1.2836    0.2700 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000304

> <DATABASE_NAME>
CDB

> <SMILES>
CC(C)[C@@]12C[C@@H]1[C@H](C)[C@H](O)C2

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8+,9+,10-/m0/s1

> <INCHI_KEY>
DZVXRFMREAADPP-JLIMGVALSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.253

> <EXACT_MASS>
154.1357652

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
18.738448729599376

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,3R,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol

> <ALOGPS_LOGP>
1.59

> <JCHEM_LOGP>
1.8984761306666673

> <ALOGPS_LOGS>
-2.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.664659848662172

> <JCHEM_PKA_STRONGEST_BASIC>
-1.195877782195165

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
45.464800000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.59e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3R,4S,5R)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000304

> <GENERIC_NAME>
Thujyl alcohol

$$$$