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

Structure

InChI Key ARIHCRZMUMZYOM-UHFFFAOYSA-N
Smiles Oc1ccc(cc1)C(c1ccc(O)c(O)c1)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C15H10F6O3/c16-14(17,18)13(15(19,20)21,8-1-4-10(22)5-2-8)9-3-6-11(23)12(24)7-9/h1-7,22-24H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10F6O3
Molecular Weight 352.05
AlogP 4.21
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 60.69
Heavy Atoms 24.0

Cross References

Resources Reference
NORMAN SUSDAT