Mrv2104 03172315172D          

 11 11  0  0  1  0            999 V2000
   -0.3561    0.1999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3562    0.6374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0686    0.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0686   -0.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562   -1.0499    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3561   -0.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0686    0.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562   -1.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561    1.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562    1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0686    1.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  3  2  1  0  0  0  0
  2 10  1  6  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
> <DATABASE_ID>
PHUB002811

> <DATABASE_NAME>
phytohub

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m0/s1

> <INCHI_KEY>
NOOLISFMXDJSKH-LPEHRKFASA-N

> <FORMULA>
C10H20O

> <MOLECULAR_WEIGHT>
156.269

> <EXACT_MASS>
156.151415264

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.5531302023273033e-08

> <JCHEM_AVERAGE_POLARIZABILITY>
19.408470176968002

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol

> <JCHEM_LOGP>
2.6642731470000007

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.54964736878105

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8087842408951698

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
47.445299999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,5S)-menthol

> <JCHEM_VEBER_RULE>
1

$$$$