Mrv0541 02241220102D          

 11 12  0  0  0  0            999 V2000
    0.1665   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335   -1.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3013    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7673    1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0330    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6338    0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6338   -0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010   -0.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3013   -0.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6338    0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB013522

> <DATABASE_NAME>
foodb

> <SMILES>
CC1(C)C2CCC(C)(C2)C1O

> <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

> <INCHI_KEY>
IAIHUHQCLTYTSF-UHFFFAOYSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.50682895893944

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
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>
(+)-fenchol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB013522

> <GENERIC_NAME>
Fenchol

$$$$