Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2068266

Structure

InChI Key OUFGWFRCXZIEPM-UHFFFAOYSA-N
Smiles Cc1c2ccc(Cl)cc2ncc1
InChI
InChI=1S/C10H8ClN/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h2-6H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8Cl1N1
Molecular Weight 177.03
AlogP 3.2
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 40941-53-5
NORMAN SUSDAT
PubChem 170437
ChemSpider 149014.0