Mrv1652303202019002D          

 13 14  0  0  1  0            999 V2000
    1.8746   -1.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049   -0.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1635   -0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1635    0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717    0.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780   -0.6957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5925    0.5418    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5925   -0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780    0.9543    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3069    0.9543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780   -1.5207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069    0.1293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  7  4  1  0  0  0  0
  7  6  1  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  6  0  0  0
 10  5  1  0  0  0  0
 10  6  1  0  0  0  0
 10  8  1  0  0  0  0
  8 11  1  1  0  0  0
  7 12  1  6  0  0  0
  8 13  1  6  0  0  0
M  END
> <DATABASE_ID>
CDB000607

> <DATABASE_NAME>
CDB

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

> <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-OYNCUSHFSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.253

> <EXACT_MASS>
154.1357652

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
18.509418879955163

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000607

> <GENERIC_NAME>
Fenchyl alcohol

$$$$