Molecule ID: mol18540

SMILES: COc1ccc(CNC(=O)N2[C@H](C)CN(CCC(C)C)c3cnccc3[C@@H]2C)cc1

InChI: InChI=1S/C24H34N4O2/c1-17(2)11-13-27-16-18(3)28(19(4)22-10-12-25-15-23(22)27)24(29)26-14-20-6-8-21(30-5)9-7-20/h6-10,12,15,17-19H,11,13-14,16H2,1-5H3,(H,26,29)/t18-,19+/m1/s1

Experimental Macro pKa Values

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