Molecule ID: mol14692

SMILES: COc1ccc(-c2ncc(-c3ccc(C)cc3)o2)cc1

InChI: InChI=1S/C17H15NO2/c1-12-3-5-13(6-4-12)16-11-18-17(20-16)14-7-9-15(19-2)10-8-14/h3-11H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization