Mrv1652304272018512D          

  4  3  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.4125    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
M  CHG  1   4  -1
M  END
> <DATABASE_ID>
CDB005743

> <DATABASE_NAME>
CDB

> <SMILES>
[NH-]CC=C

> <INCHI_IDENTIFIER>
InChI=1S/C3H6N/c1-2-3-4/h2,4H,1,3H2/q-1

> <INCHI_KEY>
ZXOWRKYUHLIENZ-UHFFFAOYSA-N

> <FORMULA>
C3H6N

> <MOLECULAR_WEIGHT>
56.089

> <EXACT_MASS>
56.050572777

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
6.531705982274038

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
prop-2-en-1-aminide

> <ALOGPS_LOGP>
-0.82

> <JCHEM_LOGP>
0.10579095799999996

> <ALOGPS_LOGS>
0.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.662389717190932

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
17.424

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.74e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
prop-2-en-1-aminide

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005743

> <GENERIC_NAME>
Allyl amide

$$$$