Mrv1718012151813282D          

 11 12  0  0  0  0            999 V2000
    0.5163    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5164   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0684    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9126    0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9126   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1981    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1981    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1981   -0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1981   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  8  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4 10  1  0  0  0  0
 10  2  1  0  0  0  0
  2  3  1  0  0  0  0
  8  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  1  0  0  0
 10 11  1  1  0  0  0
M  END
> <DATABASE_ID>
DB04501

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@]12CC[C@](C)(CC1)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3/t8-,10+

> <INCHI_KEY>
BEWYHVAWEKZDPP-WAAGHKOSSA-N

> <FORMULA>
C10H18

> <MOLECULAR_WEIGHT>
138.2499

> <EXACT_MASS>
138.140850576

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
17.589266834337884

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1s,4s)-1,7,7-trimethylbicyclo[2.2.1]heptane

> <ALOGPS_LOGP>
4.55

> <JCHEM_LOGP>
3.2202689513333334

> <ALOGPS_LOGS>
-4.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
43.7988

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.37e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bornylane

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB04501

> <SECONDARY_ACCESSION_NUMBERS>
EXPT00824

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Camphane

> <SYNONYMS>
(1s,4s)-1,7,7-trimethylbicyclo[2.2.1]heptane; 1β,4β-bornane; Bornane; Bornylane

$$$$