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

Structure

InChI Key ORSCZGQHXXZNQZ-UHFFFAOYSA-N
Smiles Oc1cccc(c1O)P(=O)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C18H15O3P/c19-16-12-7-13-17(18(16)20)22(21,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,19-20H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H15O3P1
Molecular Weight 310.08
AlogP 2.74
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 57.53
Heavy Atoms 22.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 19578778
ChemSpider 12524733.0