Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R888RD3WL3
EPA CompTox DTXSID70167558

Structure

InChI Key ALJUMASAQKRVRM-UHFFFAOYSA-N
Smiles N#CC=1C=NC=CC1C#N
InChI
InChI=1/C7H3N3/c8-3-6-1-2-10-5-7(6)4-9/h1-2,5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3N3
Molecular Weight 129.03
AlogP 0.82
Hydrogen Bond Acceptor 3.0
Polar Surface Area 60.47
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1633-44-9
NORMAN SUSDAT
FDA SRS R888RD3WL3
PubChem 74211