Mrv2304 03172417262D          

 10 11  0  0  1  0            999 V2000
    0.3452   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4393    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6711    0.9269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3162    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3162   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6711   -0.9269    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1331   -0.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4911    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3162    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1331    0.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  6  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET03252

> <DATABASE_NAME>
drugbank

> <SMILES>
CN1[C@H]2CC[C@@H]1C[C@H](O)C2

> <INCHI_IDENTIFIER>
InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+

> <INCHI_KEY>
CYHOMWAPJJPNMW-JIGDXULJSA-N

> <FORMULA>
C8H15NO

> <MOLECULAR_WEIGHT>
141.214

> <EXACT_MASS>
141.115364107

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.00137497832529

> <JCHEM_AVERAGE_POLARIZABILITY>
16.04482845219472

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

> <JCHEM_LOGP>
0.03356066499999985

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.160811229200986

> <JCHEM_PKA_STRONGEST_BASIC>
9.645887230818301

> <JCHEM_POLAR_SURFACE_AREA>
23.47

> <JCHEM_REFRACTIVITY>
40.593799999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tropine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBMET03252

> <NAME>
Tropine

> <CAS_NUMBER>
120-29-6

> <UNII>
7YXR19M72Y

$$$$