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

Structure

InChI Key TUQSVSYUEBNNKQ-UHFFFAOYSA-N
Smiles Clc1nc(Cl)c2ccccc2n1
InChI
InChI=1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H4Cl2N2
Molecular Weight 197.98
AlogP 2.94
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 607-68-1
NORMAN SUSDAT