Molecule ID: mol19120

SMILES: O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCCN4CCCC4)c(O)cc3c21

InChI: InChI=1S/C28H26ClN3O3/c29-20-9-2-1-8-17(20)18-14-22-24(26-25(18)27(34)31-28(26)35)19-15-23(33)16(13-21(19)30-22)7-3-4-10-32-11-5-6-12-32/h1-2,8-9,13-15,30,33H,3-7,10-12H2,(H,31,34,35)

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