Mrv1533006081517212D          
 
 11 12  0  0  1  0            999 V2000
   22.7986  -13.8536    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.1722  -13.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0941  -14.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6171  -13.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1722  -14.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4676  -14.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0156  -14.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2594  -13.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7115  -12.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6329  -12.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3765  -13.9923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  2  0  0  0  0
  1  2  1  1  0  0  0
  5  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004981

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1(C)C2CC[C@@]1(C)C(=O)C2

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7?,10-/m0/s1

> <INCHI_KEY>
DSSYKIVIOFKYAU-MHPPCMCBSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.237

> <EXACT_MASS>
152.120115135

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
17.73622456908778

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

> <ALOGPS_LOGP>
2.85

> <JCHEM_LOGP>
2.5529855899999996

> <ALOGPS_LOGS>
-2.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.485708558665737

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
44.492

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.80e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R)-camphor

> <JCHEM_VEBER_RULE>
1

> <NAME>
D-CAMPHOR

> <CAS>
464-49-3

$$$$