Mrv1652303202019012D          

  5  5  0  0  0  0            999 V2000
    1.5202    0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6952    0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4403    1.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1077    1.5066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7752    1.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB007401

> <DATABASE_NAME>
foodb

> <SMILES>
C1CCNC1

> <INCHI_IDENTIFIER>
InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2

> <INCHI_KEY>
RWRDLPDLKQPQOW-UHFFFAOYSA-N

> <FORMULA>
C4H9N

> <MOLECULAR_WEIGHT>
71.121

> <EXACT_MASS>
71.073499293

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
8.57813565899375

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pyrrolidine

> <ALOGPS_LOGP>
0.16

> <JCHEM_LOGP>
0.212918995

> <ALOGPS_LOGS>
0.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
11.402039831164966

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
22.2344

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.91e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pyrrolidine

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB007401

> <GENERIC_NAME>
Prolamine

$$$$