Mrv0541 02241214492D          

 11 12  0  0  0  0            999 V2000
    0.5331    0.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5331   -0.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1567   -1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7840   -0.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586    0.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0313    0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7841    1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5367    0.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4113   -0.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5367   -0.9095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3240    0.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB013093

> <DATABASE_NAME>
foodb

> <SMILES>
CN1C2CCCC1CC(=O)C2

> <INCHI_IDENTIFIER>
InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3

> <INCHI_KEY>
RHWSKVCZXBAWLZ-UHFFFAOYSA-N

> <FORMULA>
C9H15NO

> <MOLECULAR_WEIGHT>
153.2215

> <EXACT_MASS>
153.115364107

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
17.10571153225101

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-methyl-9-azabicyclo[3.3.1]nonan-3-one

> <ALOGPS_LOGP>
1.00

> <JCHEM_LOGP>
1.1430330636666666

> <ALOGPS_LOGS>
0.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.05042018894152

> <JCHEM_PKA_STRONGEST_BASIC>
7.502750730020451

> <JCHEM_POLAR_SURFACE_AREA>
20.310000000000002

> <JCHEM_REFRACTIVITY>
43.9459

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.79e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pseudopelletierine

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB013093

> <GENERIC_NAME>
psi-Pelletierine

$$$$