Mrv0541 02241214342D          

 11 12  0  0  0  0            999 V2000
   -0.1254    0.6996    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8399    0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8399   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1254   -0.9504    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5890   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5890    0.2871    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1254    1.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3035    0.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4863   -0.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2832    0.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2007   -0.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  1  0  0  0
  6  8  1  6  0  0  0
  1  9  1  1  0  0  0
  4  9  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB014588

> <DATABASE_NAME>
foodb

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

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

> <INCHI_KEY>
DTGKSKDOIYIVQL-QXFUBDJGSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.47619618261634

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

> <ALOGPS_LOGP>
2.83

> <JCHEM_LOGP>
1.9894578843333337

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.60482336496175

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7846502601657298

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
45.314299999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.05e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-borneol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB014588

> <GENERIC_NAME>
(-)-Borneol

$$$$