Molecule ID: mol19126

SMILES: O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(OCCCN3CCCC3)cc2n1CCO

InChI: InChI=1S/C29H28ClN3O5/c30-20-7-2-1-6-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)11-12-34)38-13-5-10-32-8-3-4-9-32/h1-2,6-7,14-16,34-35H,3-5,8-13H2,(H,31,36,37)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.50 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization