Molecule ID: mol17897

SMILES: COc1ccc(CCNCCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC

InChI: InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3

Experimental Macro pKa Values

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