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

Structure

InChI Key JFOYASYEGPXNJA-UHFFFAOYSA-N
Smiles c1ccc2c(c1)ccc1c2cc2c(ccc3ccc(c(c23)O)O)n1
InChI
InChI=1S/C21H13NO2/c23-19-10-7-13-6-9-18-16(20(13)21(19)24)11-15-14-4-2-1-3-12(14)5-8-17(15)22-18/h1-11,23-24H

Physicochemical Descriptors

Property Name Value
Molecular Weight 311.09
AlogP 5.11
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 53.35
Heavy Atoms 24.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 85546557