Mrv1652309042000382D          

 11 11  0  0  0  0            999 V2000
   -0.3466   -0.6121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0550   -0.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0399    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3163    1.0399    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3025    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3907    0.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3755   -0.2132    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0826   -0.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0826   -1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3617   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB005443

> <DATABASE_NAME>
M2MDB

> <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+/m1/s1

> <INCHI_KEY>
NOOLISFMXDJSKH-UTLUCORTSA-N

> <FORMULA>
C10H20O

> <MOLECULAR_WEIGHT>
156.2652

> <EXACT_MASS>
156.151415262

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
19.399617166020654

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
2.68

> <JCHEM_LOGP>
2.6642731470000007

> <ALOGPS_LOGS>
-2.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.54964736878105

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8087842408951696

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
47.4453

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.58e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-neomenthol

> <JCHEM_VEBER_RULE>
1

> <MET_ID>
ECMDB23854

> <GENERIC_NAME>
Phosphoprotein

$$$$