Molecule ID: mol3016

SMILES: O=NC(=O)CCc1ccc(CN2CCC(c3c[nH]c4ccccc34)CC2)cc1

InChI: InChI=1S/C23H25N3O2/c27-23(25-28)10-9-17-5-7-18(8-6-17)16-26-13-11-19(12-14-26)21-15-24-22-4-2-1-3-20(21)22/h1-8,15,19,24H,9-14,16H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.55 Novartis 1 » 0
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Charge States and Microspecies Visualization