Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E9X60Z79BG
EPA CompTox DTXSID20932415

Structure

InChI Key BYHVGQHIAFURIL-UHFFFAOYSA-N
Smiles ClC1=NC2=CC=CC=C2N=C1
InChI
InChI=1/C8H5ClN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H5ClN2
Molecular Weight 164.01
AlogP 2.28
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1448-87-9
NORMAN SUSDAT
FDA SRS E9X60Z79BG
PubChem 238938