Molecule ID: mol18624

SMILES: COc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)O

InChI: InChI=1S/C35H36N4O5/c1-39-28-20-24(12-15-26(28)31(23-8-3-4-9-23)32(39)27-10-5-6-19-36-27)33(42)38-35(17-7-18-35)34(43)37-25-14-11-22(13-16-30(40)41)29(21-25)44-2/h5-6,10-16,19-21,23H,3-4,7-9,17-18H2,1-2H3,(H,37,43)(H,38,42)(H,40,41)/b16-13+

Experimental Macro pKa Values

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