Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90959316

Structure

InChI Key ZIKKFAGENVKXRO-UHFFFAOYSA-N
Smiles OC1=CC=C(O)C2=C1C(O)C=3C=CC=CC3C2O
InChI
InChI=1/C14H12O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,13-18H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12O4
Molecular Weight 244.07
AlogP 1.57
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Polar Surface Area 80.92
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 38399-72-3
NORMAN SUSDAT
PubChem 3015974