Molecule ID: mol19628

SMILES: COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCc4ccccc43)C2=O)CC1

InChI: InChI=1S/C25H30N4O3/c1-32-22-10-5-4-9-21(22)28-17-15-27(16-18-28)13-6-14-29-23(30)25(26-24(29)31)12-11-19-7-2-3-8-20(19)25/h2-5,7-10H,6,11-18H2,1H3,(H,26,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization