Molecule ID: mol19852

SMILES: Cc1cc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)n[nH]1

InChI: InChI=1S/C21H29N5O/c1-14-11-17(25-10-8-18(13-25)26-9-4-5-16(26)3)6-7-19(14)22-21(27)20-12-15(2)23-24-20/h6-7,11-12,16,18H,4-5,8-10,13H2,1-3H3,(H,22,27)(H,23,24)/t16-,18-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.10 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization