Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LFU129OE9H
EPA CompTox DTXSID1020722

Structure

InChI Key BTLXPCBPYBNQNR-UHFFFAOYSA-N
Smiles Oc1cccc2C(=O)c3ccccc3C(=O)c12
InChI
InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H8O3
Molecular Weight 224.05
AlogP 2.17
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 54.37
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 129-43-1
NORMAN SUSDAT
FDA SRS LFU129OE9H
PubChem 8512
ChemSpider 8198.0