Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LTS99E7XKQ
EPA CompTox DTXSID90193612

Structure

InChI Key CNLYNLSYCPWZQY-UHFFFAOYSA-N
Smiles Oc1ccc2cc(Cl)ccc2c1
InChI
InChI=1S/C10H7ClO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7Cl1O1
Molecular Weight 178.02
AlogP 3.2
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 40604-49-7
NORMAN SUSDAT
FDA SRS LTS99E7XKQ
PubChem 96496
ChemSpider 87113.0