Mrv1718004251815562D          

 11 11  0  0  0  0            999 V2000
    0.3562   -0.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3562   -0.6375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0687   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3562    1.0500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3562    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0687   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3562    1.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562   -1.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3562   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687   -1.8751    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  6  0  0  0
  3  2  1  0  0  0  0
  2 10  1  1  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>
DB11344

> <DATABASE_NAME>
drugbank

> <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-AEJSXWLSSA-N

> <FORMULA>
C10H20O

> <MOLECULAR_WEIGHT>
156.269

> <EXACT_MASS>
156.151415264

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
19.684061023321878

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,5S)-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>
47.445299999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.58e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
l-menthol

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB11344

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
(+)-menthol

> <SYNONYMS>
(+)-(1S,2R,5S)-menthol; (+)-(1S,3S,4R)-menthol; (1S,2R,5S)-(+)-menthol; (1S,2R,5S)-menthol; D-menthol

> <PRODUCTS>
Ay Bendito - Pain Relief; Ay Bendito - Thermoactive; Balsang Pain Relief; BlueStop Max; Bufferin Pain Relief; DR JOE LAB PMS Menstrual Pain Relief Cream DR JOE LAB; Plaster; Re-Lieved 3 in 1 Patch; Re-Lieved Lidocaine Patch

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