Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2WTB3V159F
EPA CompTox DTXSID9024148

Structure

InChI Key LELOWRISYMNNSU-UHFFFAOYSA-N
Smiles C#N
InChI
InChI=1S/CHN/c1-2/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula CHN
Molecular Weight 27.01
AlogP 0.14
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 2.0

Cross References

Resources Reference
CAS NUMBER 74-90-8
NORMAN SUSDAT
FDA SRS 2WTB3V159F