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

Structure

InChI Key NHTGQOXRZFUGJX-UHFFFAOYSA-N
Smiles Clc1c(Cl)c(Cl)c2nccnc2c1Cl
InChI
InChI=1S/C8H2Cl4N2/c9-3-4(10)6(12)8-7(5(3)11)13-1-2-14-8/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H2Cl4N2
Molecular Weight 265.9
AlogP 4.24
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 3495-42-9
NORMAN SUSDAT