Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q68E5JRQ8V
EPA CompTox DTXSID10192046

Structure

InChI Key VYNGFCUGSYEOOZ-UHFFFAOYSA-N
Smiles S=[P](c1ccccc1)(c2ccccc2)c3ccccc3
InChI
InChI=1S/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H15P1S1
Molecular Weight 294.06
AlogP 3.44
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 3878-45-3
NORMAN SUSDAT
FDA SRS Q68E5JRQ8V
PubChem 19758
ChemSpider 18610.0