Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID80946578

Structure

InChI Key CEEKCHGNKYVTTM-UHFFFAOYSA-M
Smiles [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CC4=CC=C(C=C4)C
InChI
InChI=1/C26H24P.BrH/c1-22-17-19-23(20-18-22)21-27(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H24P
Molecular Weight 446.08
AlogP 2.49
Number of Rotational Bond 5.0
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 2378-86-1
NORMAN SUSDAT
PubChem 11797662