Mrv1652303202019012D          

  3  2  0  0  0  0            999 V2000
   -0.3716    0.6190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3716    0.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3716   -0.6190    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
M  END
> <DATABASE_ID>
FDB003242

> <DATABASE_NAME>
foodb

> <SMILES>
CCN

> <INCHI_IDENTIFIER>
InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3

> <INCHI_KEY>
QUSNBJAOOMFDIB-UHFFFAOYSA-N

> <FORMULA>
C2H7N

> <MOLECULAR_WEIGHT>
45.0837

> <EXACT_MASS>
45.057849229

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
5.749651582520081

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethanamine

> <ALOGPS_LOGP>
-0.20

> <JCHEM_LOGP>
-0.2686509106666667

> <ALOGPS_LOGS>
0.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.22618709835776

> <JCHEM_POLAR_SURFACE_AREA>
26.02

> <JCHEM_REFRACTIVITY>
14.6674

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.54e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethylamine

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB003242

> <GENERIC_NAME>
Ethanamine

$$$$