10-Hydroxytricyclene
  Mrv2104 06072104282D          

 11 13  0  0  0  0            999 V2000
    2.6716   -1.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3316   -0.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1351   -2.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5004   -1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6411   -2.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106   -1.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1407   -0.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9362   -1.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6971   -2.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2804   -3.0502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  6  1  0  0  0  0
  9  8  1  0  0  0  0
  3  6  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
PHUB000962

> <DATABASE_NAME>
phytohub

> <SMILES>
CC1(C)C2C3CC1CC23CO

> <INCHI_IDENTIFIER>
InChI=1/C10H16O/c1-9(2)6-3-7-8(9)10(7,4-6)5-11/h6-8,11H,3-5H2,1-2H3

> <INCHI_KEY>
VUYGLHIDKHEDOF-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>
3.7236162757942204e-09

> <JCHEM_AVERAGE_POLARIZABILITY>
18.056372348135614

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{3,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-1-yl}methanol

> <ALOGPS_LOGP>
2.16

> <JCHEM_LOGP>
1.1606727546666662

> <ALOGPS_LOGS>
-2.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.133565648728144

> <JCHEM_PKA_STRONGEST_BASIC>
-1.4281783852463095

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
43.6665

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.79e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{3,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-1-yl}methanol

> <JCHEM_VEBER_RULE>
1

$$$$