Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90198728

Structure

InChI Key JPPBBGANXNRTBE-UHFFFAOYSA-N
Smiles Clc1cocc1
InChI
InChI=1S/C4H3ClO/c5-4-1-2-6-3-4/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H3Cl1O1
Molecular Weight 101.99
AlogP 1.93
Hydrogen Bond Acceptor 1.0
Polar Surface Area 13.14
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 50689-17-3
NORMAN SUSDAT
PubChem 3016547
ChemSpider 2284478.0