Physoperuvine
  Mrv2104 06072104262D          

 10 11  0  0  0  0            999 V2000
   17.5097  -15.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9468  -14.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9468  -15.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1218  -14.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0768  -15.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6467  -14.2886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5374  -15.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2352  -15.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6425  -13.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6753  -14.2460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  1  2  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
> <DATABASE_ID>
PHUB000833

> <DATABASE_NAME>
phytohub

> <SMILES>
CN1C2CCC1(O)CCC2

> <INCHI_IDENTIFIER>
InChI=1/C8H15NO/c1-9-7-3-2-5-8(9,10)6-4-7/h7,10H,2-6H2,1H3

> <INCHI_KEY>
BKWVNPXVPQOROM-UHFFFAOYNA-N

> <FORMULA>
C8H15NO

> <MOLECULAR_WEIGHT>
141.214

> <EXACT_MASS>
141.115364107

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9903989253958448

> <JCHEM_AVERAGE_POLARIZABILITY>
16.026652093194528

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8-methyl-8-azabicyclo[3.2.1]octan-1-ol

> <ALOGPS_LOGP>
0.68

> <JCHEM_LOGP>
0.9187802303333327

> <ALOGPS_LOGS>
0.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.212127692903627

> <JCHEM_PKA_STRONGEST_BASIC>
9.013518361442477

> <JCHEM_POLAR_SURFACE_AREA>
23.47

> <JCHEM_REFRACTIVITY>
40.6996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.81e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
physoperuvine

> <JCHEM_VEBER_RULE>
1

$$$$