Mrv2104 03292314442D          

 11 12  0  0  0  0            999 V2000
    0.5439    0.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931   -1.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931   -0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076    0.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076    0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220   -0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220   -1.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -0.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138   -0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -0.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  8  2  1  0  0  0  0
  3  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
 10  5  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
> <DATABASE_ID>
PHUB001786

> <DATABASE_NAME>
phytohub

> <SMILES>
CC1(C)C2CCC1(C)C(O)C2

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

> <INCHI_KEY>
DTGKSKDOIYIVQL-UHFFFAOYNA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.253

> <EXACT_MASS>
154.1357652

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.14103452721207022

> <JCHEM_AVERAGE_POLARIZABILITY>
18.474640825038364

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

> <JCHEM_LOGP>
1.9894578843333337

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.60482336496175

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7846502601657299

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
45.314299999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
borneol

> <JCHEM_VEBER_RULE>
1

$$$$