Molecule ID: mol17530

SMILES: COc1ccccc1N1CCN(CCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1

InChI: InChI=1S/C24H29N5O2/c1-31-23-6-3-2-5-22(23)28-17-15-27(16-18-28)13-4-11-26-24(30)20-7-9-21(10-8-20)29-14-12-25-19-29/h2-3,5-10,12,14,19H,4,11,13,15-18H2,1H3,(H,26,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization