Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2061858

Structure

InChI Key QFMZQPDHXULLKC-UHFFFAOYSA-N
Smiles C(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChI
InChI=1S/C26H24P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H24P2
Molecular Weight 398.14
AlogP 5.25
Number of Rotational Bond 7.0
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 1663-45-2
NORMAN SUSDAT
PubChem 74267
ChemSpider 66873.0