Molecule ID: mol19122

SMILES: Cn1c2cc(S(=O)(=O)NCCN3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O

InChI: InChI=1S/C27H25ClN4O5S/c1-31-19-14-22(38(36,37)29-8-11-32-9-4-5-10-32)21(33)13-17(19)23-20(31)12-16(15-6-2-3-7-18(15)28)24-25(23)27(35)30-26(24)34/h2-3,6-7,12-14,29,33H,4-5,8-11H2,1H3,(H,30,34,35)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.50 Baltruschat ChEMBL -1 » -2
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Charge States and Microspecies Visualization