Molecule ID: mol16075

SMILES: O=C(O)CCCc1cc2c(-c3cccc(C(=O)O)c3C(=O)O)c3cc(CCCC(=O)O)c(=O)cc-3oc2cc1O

InChI: InChI=1S/C29H24O11/c30-20-12-22-18(10-14(20)4-1-8-24(32)33)26(16-6-3-7-17(28(36)37)27(16)29(38)39)19-11-15(5-2-9-25(34)35)21(31)13-23(19)40-22/h3,6-7,10-13,30H,1-2,4-5,8-9H2,(H,32,33)(H,34,35)(H,36,37)(H,38,39)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.00 Baltruschat ChEMBL -4 » -5
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Charge States and Microspecies Visualization