Molecule ID: mol18190

SMILES: Cc1ccc(NC(=O)c2ccc3nc(-c4c(C)cc(NCC(=O)O)cc4C)[nH]c3c2)cc1C

InChI: InChI=1S/C26H26N4O3/c1-14-5-7-19(9-15(14)2)28-26(33)18-6-8-21-22(12-18)30-25(29-21)24-16(3)10-20(11-17(24)4)27-13-23(31)32/h5-12,27H,13H2,1-4H3,(H,28,33)(H,29,30)(H,31,32)

Experimental Macro pKa Values

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