Mrv2104 03132314452D          

 11 12  0  0  0  0            999 V2000
    0.7698   -0.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0553    0.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0553    1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7698    0.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842    0.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6592    0.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0553   -1.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0553   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716   -1.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6592   -0.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4842   -0.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  2  4  1  0  0  0  0
  6 10  1  0  0  0  0
 10  7  1  0  0  0  0
  7  1  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
PHUB002706

> <DATABASE_NAME>
phytohub

> <SMILES>
CC1(C)C2CC1C(=C)C(O)C2

> <INCHI_IDENTIFIER>
InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3

> <INCHI_KEY>
LCYXQUJDODZYIJ-UHFFFAOYNA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.237

> <EXACT_MASS>
152.120115135

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.029711684266756543

> <JCHEM_AVERAGE_POLARIZABILITY>
17.88013284266298

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol

> <ALOGPS_LOGP>
2.24

> <JCHEM_LOGP>
1.628784049666666

> <ALOGPS_LOGS>
-1.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.937417626307106

> <JCHEM_PKA_STRONGEST_BASIC>
-1.5139735302532713

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
45.165299999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.76e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pinocarveol

> <JCHEM_VEBER_RULE>
1

$$$$