Molecule ID: mol16483

SMILES: c1ccc(CN2CCC(Nc3nc(N4CCCCC4)nc4nc[nH]c34)CC2)cc1

InChI: InChI=1S/C22H29N7/c1-3-7-17(8-4-1)15-28-13-9-18(10-14-28)25-21-19-20(24-16-23-19)26-22(27-21)29-11-5-2-6-12-29/h1,3-4,7-8,16,18H,2,5-6,9-15H2,(H2,23,24,25,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.73 Baltruschat ChEMBL 3 » 2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization