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

Structure

InChI Key PPYQNGZABNGKDD-UHFFFAOYSA-N
Smiles CCP(OC(C)=O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C22H23O2P/c1-3-25(24-19(2)23,20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23O2P1
Molecular Weight 350.14
AlogP 4.01
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 26.3
Heavy Atoms 25.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 14767691
ChemSpider 21494092.0