Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FP0FJ7K744
EPA CompTox DTXSID1049431

Structure

InChI Key RJGDLRCDCYRQOQ-UHFFFAOYSA-N
Smiles O=C1C2=CC=CC=C2CC2=CC=CC=C12
InChI
InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10O1
Molecular Weight 194.07
AlogP 2.82
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 90-44-8
NORMAN SUSDAT
FDA SRS FP0FJ7K744
PubChem 7018
ChemSpider 6751.0