Molecule ID: mol17437

SMILES: CCN(CC)CCOc1ccc(C(=O)N2C/C(=C\c3ccc(Cl)cc3)C(=O)/C(=C/c3ccc(Cl)cc3)C2)cc1

InChI: InChI=1S/C32H32Cl2N2O3/c1-3-35(4-2)17-18-39-30-15-9-25(10-16-30)32(38)36-21-26(19-23-5-11-28(33)12-6-23)31(37)27(22-36)20-24-7-13-29(34)14-8-24/h5-16,19-20H,3-4,17-18,21-22H2,1-2H3/b26-19+,27-20+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization