Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RYN4FS3JEN
EPA CompTox DTXSID30164028

Structure

InChI Key UJNZOIKQAUQOCN-UHFFFAOYSA-N
Smiles CP(c1ccccc1)c1ccccc1
InChI
InChI=1S/C13H13P/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H13P1
Molecular Weight 200.08
AlogP 2.75
Number of Rotational Bond 2.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 1486-28-8
NORMAN SUSDAT
FDA SRS RYN4FS3JEN
PubChem 73879
ChemSpider 66513.0