Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A762Z8101Y
EPA CompTox DTXSID1059070

Structure

InChI Key GJCOSYZMQJWQCA-UHFFFAOYSA-N
Smiles C1c2ccccc2Oc2c1cccc2
InChI
InChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H10O1
Molecular Weight 182.07
AlogP 3.38
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 92-83-1
NORMAN SUSDAT
FDA SRS A762Z8101Y
PubChem 7107
ChemSpider 6840.0