Molecule ID: mol20270

SMILES: CC(C)CN1CCC(Nc2c3ccccc3[n+](C)c3c2[nH]c2ccccc23)CC1

InChI: InChI=1S/C25H30N4/c1-17(2)16-29-14-12-18(13-15-29)26-23-20-9-5-7-11-22(20)28(3)25-19-8-4-6-10-21(19)27-24(23)25/h4-11,17-18H,12-16H2,1-3H3,(H,26,27)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization