Molecule ID: mol12612

SMILES: Cc1ccccc1NC(=O)CN

InChI: InChI=1S/C9H12N2O/c1-7-4-2-3-5-8(7)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization