Molecule ID: mol15438

SMILES: COc1ccc(-c2cnc(-c3ccc(OC)cc3)o2)cc1

InChI: InChI=1S/C17H15NO3/c1-19-14-7-3-12(4-8-14)16-11-18-17(21-16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.41 QSARToolbox 1 » 0
1.41 Datawarrior 1 » 0
1.41 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization