Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 53403153MA
EPA CompTox DTXSID8075099

Structure

InChI Key STSRVFAXSLNLLI-UHFFFAOYSA-N
Smiles N#CC=CC=C
InChI
InChI=1/C5H5N/c1-2-3-4-5-6/h2-4H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5N
Molecular Weight 79.04
AlogP 1.25
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 23.79
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1615-70-9
NORMAN SUSDAT
FDA SRS 53403153MA
PubChem 74170