Molecule ID: mol18352

SMILES: CC(=O)Nc1ccc2nc(NCCN(C)C)ccc2c1

InChI: InChI=1S/C15H20N4O/c1-11(20)17-13-5-6-14-12(10-13)4-7-15(18-14)16-8-9-19(2)3/h4-7,10H,8-9H2,1-3H3,(H,16,18)(H,17,20)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.82 OCHEM 0 » -1
10.82 Baltruschat ChEMBL 0 » -1
12.19 OCHEM 0 » -1
12.19 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization