Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10442957

Structure

InChI Key JKFFEJFWOMHYDX-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(CC1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=C(CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C=C1)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C32H17F26P/c33-23(34,25(37,38)31(53,54)55)21(27(41,42)43,28(44,45)46)14-16-6-10-19(11-7-16)59(18-4-2-1-3-5-18)20-12-8-17(9-13-20)15-22(29(47,48)49,30(50,51)52)24(35,36)26(39,40)32(56,57)58/h1-13H,14-15H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H17F26P1
Molecular Weight 926.07
AlogP 12.42
Number of Rotational Bond 11.0
Heavy Atoms 59.0

Cross References

Resources Reference
CAS NUMBER 322647-83-6
NORMAN SUSDAT
PubChem 10653392
ChemSpider 8828748.0