Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 34XLX2VR6G
EPA CompTox DTXSID7061483

Structure

InChI Key LZPBKINTWROMEA-UHFFFAOYSA-N
Smiles O=C1c2c(cccc2)C(=O)c2c1cc1ccccc1c2
InChI
InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-10-12-6-2-1-5-11(12)9-15(16)17/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H10O2
Molecular Weight 258.07
AlogP 3.62
Hydrogen Bond Acceptor 2.0
Polar Surface Area 34.14
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 1090-13-7
NORMAN SUSDAT
FDA SRS 34XLX2VR6G
PubChem 14160
ChemSpider 13534.0