Mrv1652303192001373D          

 11 12  0  0  0  0            999 V2000
   -2.3313    0.5422   -0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5780   -1.7060    0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2148    0.4175   -1.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5709   -0.8107    1.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5403   -1.0074    0.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.1501    0.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3262    0.2890    1.2264 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1631   -0.3499   -1.0998 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1209   -0.2712    0.0806 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1575    0.0174   -0.4679 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5050    0.5054   -2.1219 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  1  0  0  0  0
 10  3  1  6  0  0  0
  4  5  1  0  0  0  0
  7  4  1  6  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  6  0  0  0
M  END
> <DATABASE_ID>
CDB000451

> <DATABASE_NAME>
CDB

> <SMILES>
CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1

> <INCHI_KEY>
IAIHUHQCLTYTSF-QXFUBDJGSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.253

> <EXACT_MASS>
154.1357652

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
18.50094096664238

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

> <ALOGPS_LOGP>
2.30

> <JCHEM_LOGP>
2.1453653443333334

> <ALOGPS_LOGS>
-2.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5162855018399258

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
45.1603

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.71e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000451

> <GENERIC_NAME>
Beta-Fenchol

$$$$