Limonene-10-ol
  Mrv2104 06072104282D          

 11 11  0  0  0  0            999 V2000
    9.8510   -8.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4222   -9.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1367   -9.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8510   -9.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4222   -8.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1367   -8.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1367   -7.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1367  -10.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8510  -10.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4222  -10.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655  -10.5683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  5  6  2  0  0  0  0
  3  4  1  0  0  0  0
  2  3  1  0  0  0  0
  5  2  1  0  0  0  0
  4  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <DATABASE_ID>
PHUB000993

> <DATABASE_NAME>
phytohub

> <SMILES>
CC1=CCC(CC1)C(=C)CO

> <INCHI_IDENTIFIER>
InChI=1/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3

> <INCHI_KEY>
UIMAEYMKYMNCGW-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>
1.0222390882372395e-09

> <JCHEM_AVERAGE_POLARIZABILITY>
18.455918147747614

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol

> <ALOGPS_LOGP>
2.55

> <JCHEM_LOGP>
1.9390414949999997

> <ALOGPS_LOGS>
-1.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.95121580203785

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9453382081886437

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
48.254999999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.87e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol

> <JCHEM_VEBER_RULE>
1

$$$$