Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10429425

Structure

InChI Key JJOOKXUUVWIARB-UHFFFAOYSA-N
Smiles Clc1ccc2ncoc2c1
InChI
InChI=1S/C7H4ClNO/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4Cl1N1O1
Molecular Weight 153.0
AlogP 2.48
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.03
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 227197-72-0
NORMAN SUSDAT
PubChem 9350362
ChemSpider 7637526.0