Molecule ID: mol32602

SMILES: COc1ccc(N=Nc2ccncc2)cc1

InChI: InChI=1S/C12H11N3O/c1-16-12-4-2-10(3-5-12)14-15-11-6-8-13-9-7-11/h2-9H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization