Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60175485

Structure

InChI Key SROHGOJDCAODGI-UHFFFAOYSA-N
Smiles O=c1oc(c(o1)c1ccccc1)c1ccccc1
InChI
InChI=1S/C15H10O3/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10O3
Molecular Weight 238.06
AlogP 3.57
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 43.35
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 21240-34-6
NORMAN SUSDAT
PubChem 88835
ChemSpider 80158.0