Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90146360

Structure

InChI Key ARWCZKJISXFBGI-UHFFFAOYSA-N
Smiles Oc1ccc(cc1O)C(=O)c1ccccc1
InChI
InChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H10O3
Molecular Weight 214.06
AlogP 2.33
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 57.53
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 10425-11-3
NORMAN SUSDAT
PubChem 165870
ChemSpider 145364.0