Molecule ID: mol2850

SMILES: COc1ccc(/C=C/C(=O)N2CCN(c3ccccn3)CC2)cc1

InChI: InChI=1S/C19H21N3O2/c1-24-17-8-5-16(6-9-17)7-10-19(23)22-14-12-21(13-15-22)18-4-2-3-11-20-18/h2-11H,12-15H2,1H3/b10-7+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.30 Novartis 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization