Molecule ID: mol17438

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

InChI: InChI=1S/C34H38N2O3/c1-5-35(6-2)19-20-39-32-17-15-29(16-18-32)34(38)36-23-30(21-27-11-7-25(3)8-12-27)33(37)31(24-36)22-28-13-9-26(4)10-14-28/h7-18,21-22H,5-6,19-20,23-24H2,1-4H3/b30-21+,31-22+

Experimental Macro pKa Values

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