Mrv1718009031812312D          

 11 12  0  0  0  0            999 V2000
    0.5823   -0.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1170   -1.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8352   -0.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8205   -0.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042    0.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -0.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042   -0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1212    0.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063    1.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5823   -0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.3973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  8  1  0  0  0  0
  4  8  1  0  0  0  0
  6  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  6  2  1  0  0  0  0
  4  3  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11288

> <DATABASE_NAME>
drugbank

> <SMILES>
CC1(C)C2CCC1(C)C(O)C2

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3

> <INCHI_KEY>
DTGKSKDOIYIVQL-UHFFFAOYSA-N

> <FORMULA>
C10H18O

> <MOLECULAR_WEIGHT>
154.2493

> <EXACT_MASS>
154.135765198

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
18.4754906017452

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

> <ALOGPS_LOGP>
2.83

> <JCHEM_LOGP>
1.9894578843333337

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.60482336496175

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7846502601657298

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
45.314299999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.05e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
baros

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB11288

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Borneol

> <SYNONYMS>
Borneo camphor; Bornyl alcohol; endo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol; endo-2-bornanol; endo-2-camphanol; endo-2-hydroxycamphane; Sumatra camphor

> <PRODUCTS>
Cream; Enokon Pain relief patch; Enokon Pain relief patch-acupoint pressure stimulation; Kwan Tak Hing Plaster - Pad-pls; La Jiao Feng Shi Gao; Ma Ying Long Hemorrhoidal; Menthol Overnight Pain Relief Gel-Patch; Pain Free; Salonpas Medicated Plaster; Shunfa Anti-Bacteria Spra; Tendon Sheath Patch; Varicose Veins Patch

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