Molecule ID: mol19859

SMILES: Cc1cccc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)n1

InChI: InChI=1S/C23H30N4O/c1-16-14-19(26-13-11-20(15-26)27-12-5-7-18(27)3)9-10-21(16)25-23(28)22-8-4-6-17(2)24-22/h4,6,8-10,14,18,20H,5,7,11-13,15H2,1-3H3,(H,25,28)/t18-,20-/m0/s1

Experimental Macro pKa Values

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