Molecule ID: mol18625

SMILES: CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)O

InChI: InChI=1S/C35H36ClN5O5/c1-3-46-28-18-25(12-9-21(28)11-14-29(42)43)39-34(45)35(15-6-16-35)40-33(44)23-10-13-26-27(17-23)41(2)31(30(26)22-7-4-5-8-22)32-37-19-24(36)20-38-32/h9-14,17-20,22H,3-8,15-16H2,1-2H3,(H,39,45)(H,40,44)(H,42,43)/b14-11+

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