Molecule ID: mol16608

SMILES: COC(=O)C(Cc1ccc(O)cc1)NC(=O)CN(CCN(CC(=O)O)CC(=O)NC(Cc1ccc(O)cc1)C(=O)OC)CC(=O)O

InChI: InChI=1S/C30H38N4O12/c1-45-29(43)23(13-19-3-7-21(35)8-4-19)31-25(37)15-33(17-27(39)40)11-12-34(18-28(41)42)16-26(38)32-24(30(44)46-2)14-20-5-9-22(36)10-6-20/h3-10,23-24,35-36H,11-18H2,1-2H3,(H,31,37)(H,32,38)(H,39,40)(H,41,42)

Experimental Macro pKa Values

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