Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 81ESV254UF
EPA CompTox DTXSID50870573

Structure

InChI Key WPBXOELOQKLBDF-UHFFFAOYSA-N
Smiles IC#N
InChI
InChI=1/CIN/c2-1-3

Physicochemical Descriptors

Property Name Value
Molecular Formula CIN
Molecular Weight 152.91
AlogP 0.9
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 3.0

Cross References

Resources Reference
CAS NUMBER 506-78-5
NORMAN SUSDAT
FDA SRS 81ESV254UF