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

Structure

InChI Key BAMFFSDSHNMEPI-UHFFFAOYSA-N
Smiles CC(C)c1ccc(OP(O)(=O)Oc2ccccc2)cc1
InChI
InChI=1S/C15H17O4P/c1-12(2)13-8-10-15(11-9-13)19-20(16,17)18-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H17O4P1
Molecular Weight 292.09
AlogP 4.37
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 55.76
Heavy Atoms 20.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 15591290