Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 53665T9BHJ
EPA CompTox DTXSID90190843

Structure

InChI Key NRFQZTCQAYEXEE-UHFFFAOYSA-N
Smiles Clc1cc(Cl)nc(n1)-c1ccccc1
InChI
InChI=1S/C10H6Cl2N2/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H6Cl2N2
Molecular Weight 223.99
AlogP 3.45
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 25.78
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 3740-92-9
NORMAN SUSDAT
FDA SRS 53665T9BHJ
PubChem 77338
ChemSpider 69755.0