Molecule ID: mol15565

SMILES: COc1cccc(OC)c1-c1nc2cnccc2[nH]1

InChI: InChI=1S/C14H13N3O2/c1-18-11-4-3-5-12(19-2)13(11)14-16-9-6-7-15-8-10(9)17-14/h3-8H,1-2H3,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization