Molecule ID: mol7897

SMILES: Cc1ccc2nc(C)ncc2c1

InChI: InChI=1S/C10H10N2/c1-7-3-4-10-9(5-7)6-11-8(2)12-10/h3-6H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.41 QSARToolbox 1 » 0
4.41 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization