Mrv0541 05061308512D          

 12 13  0  0  0  0            999 V2000
   -0.0020   -0.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0195    0.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1275   -1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6113   -0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9893   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0571   -1.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8873   -1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4999   -0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6396   -0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605   -0.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0773    0.5912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7476    0.5795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  7  6  1  0  0  0  0
  9  1  1  0  0  0  0
  9  4  1  0  0  0  0
  9  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 10  5  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB014848

> <DATABASE_NAME>
foodb

> <SMILES>
CC12CCC(C)(CCC1)C2=NO

> <INCHI_IDENTIFIER>
InChI=1S/C10H17NO/c1-9-4-3-5-10(2,7-6-9)8(9)11-12/h12H,3-7H2,1-2H3

> <INCHI_KEY>
RADAAKRXEPVXBU-UHFFFAOYSA-N

> <FORMULA>
C10H17NO

> <MOLECULAR_WEIGHT>
167.2481

> <EXACT_MASS>
167.131014171

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
19.26432887061754

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-{1,5-dimethylbicyclo[3.2.1]octan-8-ylidene}hydroxylamine

> <ALOGPS_LOGP>
3.04

> <JCHEM_LOGP>
3.2319493086666666

> <ALOGPS_LOGS>
-2.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.569562257936905

> <JCHEM_PKA_STRONGEST_BASIC>
2.0432264128218933

> <JCHEM_POLAR_SURFACE_AREA>
32.59

> <JCHEM_REFRACTIVITY>
48.4179

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.31e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-{1,5-dimethylbicyclo[3.2.1]octan-8-ylidene}hydroxylamine

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB014848

> <GENERIC_NAME>
Buccoxime

$$$$