Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QPX6TA6X3R
EPA CompTox DTXSID1074591

Structure

InChI Key SRWILAKSARHZPR-UHFFFAOYSA-N
Smiles Clc1cccc(C=O)c1
InChI
InChI=1S/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl1O1
Molecular Weight 140.0
AlogP 2.15
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 587-04-2
NORMAN SUSDAT
FDA SRS QPX6TA6X3R
PubChem 11477
ChemSpider 10992.0