Molecule ID: mol24703

SMILES: CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCCOc1ccccc1

InChI: InChI=1S/C26H34ClN5O2/c1-2-25-28-32(26(33)31(25)14-8-20-34-24-11-4-3-5-12-24)15-7-13-29-16-18-30(19-17-29)23-10-6-9-22(27)21-23/h3-6,9-12,21H,2,7-8,13-20H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization