Molecule ID: mol35475

SMILES: Cc1cc2c(O)c(c1)CNCc1cccc(n1)CNCc1cc(C)cc(c1O)CNCc1cccc(n1)CNC2

InChI: InChI=1S/C32H38N6O2/c1-21-9-23-13-33-17-27-5-3-7-29(37-27)19-35-15-25-11-22(2)12-26(32(25)40)16-36-20-30-8-4-6-28(38-30)18-34-14-24(10-21)31(23)39/h3-12,33-36,39-40H,13-20H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
12.10 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization