Molecule ID: mol19128

SMILES: O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCCN4CCCC4)c(O)cc3c21

InChI: InChI=1S/C27H24ClN3O4/c28-18-7-2-1-6-15(18)16-12-20-23(25-24(16)26(33)30-27(25)34)17-13-21(32)22(14-19(17)29-20)35-11-5-10-31-8-3-4-9-31/h1-2,6-7,12-14,29,32H,3-5,8-11H2,(H,30,33,34)

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