Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID4069347

Structure

InChI Key FTONSAARTKYOAV-UHFFFAOYSA-N
Smiles Cc1cc(Cl)nc2c1ccc(Cl)c2
InChI
InChI=1S/C10H7Cl2N/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7Cl2N1
Molecular Weight 211.0
AlogP 3.85
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 59666-16-9
NORMAN SUSDAT
PubChem 108800
ChemSpider 97838.0