Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0YT265F8MD
EPA CompTox DTXSID50177650

Structure

InChI Key HGUZQMQXAHVIQC-UHFFFAOYSA-N
Smiles CNC=C
InChI
InChI=1S/C3H7N/c1-3-4-2/h3-4H,1H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7N1
Molecular Weight 57.06
AlogP 0.35
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 12.03
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 2308-42-1
NORMAN SUSDAT
FDA SRS 0YT265F8MD
PubChem 137539
ChemSpider 121201.0