Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XXW49HG6X3
EPA CompTox DTXSID60422562

Structure

InChI Key YFPJFKYCVYXDJK-UHFFFAOYSA-N
Smiles O=[P+](c1ccccc1)c2ccccc2
InChI
InChI=1S/C12H10OP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H10O1P1
Molecular Weight 201.05
AlogP 2.46
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 4559-70-0
NORMAN SUSDAT
FDA SRS XXW49HG6X3
PubChem 6327869
ChemSpider 222625.0