Molecule ID: mol16481

SMILES: c1ccc(CN2CCC(Nc3nc(N4CCCCC4)nc4sccc34)CC2)cc1

InChI: InChI=1S/C23H29N5S/c1-3-7-18(8-4-1)17-27-14-9-19(10-15-27)24-21-20-11-16-29-22(20)26-23(25-21)28-12-5-2-6-13-28/h1,3-4,7-8,11,16,19H,2,5-6,9-10,12-15,17H2,(H,24,25,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.86 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization