Molecule ID: mol17433

SMILES: O=C1/C(=C/c2ccc(Cl)cc2)CN(C(=O)c2ccc(OCCN3CCCCC3)cc2)C/C1=C\c1ccc(Cl)cc1

InChI: InChI=1S/C33H32Cl2N2O3/c34-29-10-4-24(5-11-29)20-27-22-37(23-28(32(27)38)21-25-6-12-30(35)13-7-25)33(39)26-8-14-31(15-9-26)40-19-18-36-16-2-1-3-17-36/h4-15,20-21H,1-3,16-19,22-23H2/b27-20+,28-21+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.12 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization