Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P7LZM6552K
EPA CompTox DTXSID60175622

Structure

InChI Key CQCAYWAIRTVXIY-UHFFFAOYSA-N
Smiles O=CC=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C20H17OP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H17O1P1
Molecular Weight 304.1
AlogP 2.98
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 17.07
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 2136-75-6
NORMAN SUSDAT
FDA SRS P7LZM6552K
PubChem 75051
ChemSpider 67603.0