Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M4L63D5AEQ
EPA CompTox DTXSID50213143

Structure

InChI Key LLZAIAIZAVMQIG-UHFFFAOYSA-N
Smiles CC(C)P(c1ccccc1)c1ccccc1
InChI
InChI=1S/C15H17P/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H17P1
Molecular Weight 228.11
AlogP 3.53
Number of Rotational Bond 3.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 6372-40-3
NORMAN SUSDAT
FDA SRS M4L63D5AEQ
PubChem 80754
ChemSpider 72909.0