Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EVI89HA9V3
EPA CompTox DTXSID8052724

Structure

InChI Key ODZHLDRQCZXQFQ-UHFFFAOYSA-N
Smiles Cc1c(Cl)c(=O)oc2c1ccc(O)c2
InChI
InChI=1S/C10H7ClO3/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-4,12H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7Cl1O3
Molecular Weight 210.01
AlogP 2.46
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 50.44
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 6174-86-3
NORMAN SUSDAT
FDA SRS EVI89HA9V3
PubChem 5355079
ChemSpider 4511129.0