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

Structure

InChI Key DMLVAHRVDMKGJN-UHFFFAOYSA-N
Smiles Oc1cccc(P(c2ccccc2)c2ccccc2)c1O
InChI
InChI=1S/C18H15O2P/c19-16-12-7-13-17(18(16)20)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 C18H15O2P1
Molecular Weight 294.08
AlogP 2.86
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 40.46
Heavy Atoms 21.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 58991171