Mrv1652306031609112D          

 14 16  0  0  0  0            999 V2000
   -1.7766   -0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0653    0.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5804    0.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5804   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0621   -0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813    1.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957    0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957   -0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813   -0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668   -0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0621    0.6132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3477   -0.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012706

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(=O)OC1CC2CC1C1CC=CC21

> <INCHI_IDENTIFIER>
InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3

> <INCHI_KEY>
RGVQNSFGUOIKFF-UHFFFAOYSA-N

> <FORMULA>
C12H16O2

> <MOLECULAR_WEIGHT>
192.258

> <EXACT_MASS>
192.115029755

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
21.118959239277586

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
tricyclo[5.2.1.0^{2,6}]dec-3-en-8-yl acetate

> <ALOGPS_LOGP>
2.29

> <JCHEM_LOGP>
1.6584755266666662

> <ALOGPS_LOGS>
-3.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.003226467647811

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
54.0566

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.96e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tricyclo[5.2.1.0^{2,6}]dec-3-en-8-yl acetate

> <JCHEM_VEBER_RULE>
1

> <NAME>
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate

> <CAS>
5413-60-5

> <SYNONYMS>
3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-yl acetate

$$$$