Molecule ID: mol19854

SMILES: Cc1nc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)co1

InChI: InChI=1S/C21H28N4O2/c1-14-11-17(24-10-8-18(12-24)25-9-4-5-15(25)2)6-7-19(14)23-21(26)20-13-27-16(3)22-20/h6-7,11,13,15,18H,4-5,8-10,12H2,1-3H3,(H,23,26)/t15-,18-/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