Molecule ID: mol19114

SMILES: CN(C)CCCCc1cc2[nH]c3cc(-c4ccccc4Cl)c4c(c3c2cc1O)C(=O)NC4=O

InChI: InChI=1S/C26H24ClN3O3/c1-30(2)10-6-5-7-14-11-19-17(13-21(14)31)22-20(28-19)12-16(15-8-3-4-9-18(15)27)23-24(22)26(33)29-25(23)32/h3-4,8-9,11-13,28,31H,5-7,10H2,1-2H3,(H,29,32,33)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.50 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization