Molecule ID: mol17721

SMILES: N#CNC(=O)c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1

InChI: InChI=1S/C20H20N2O7/c21-10-22-19(27)13-3-1-11(2-4-13)12-5-7-14(8-6-12)28-20-18(26)17(25)16(24)15(9-23)29-20/h1-8,15-18,20,23-26H,9H2,(H,22,27)/t15-,16-,17+,18+,20+/m1/s1

Experimental Macro pKa Values

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