Molecule ID: mol38394

SMILES: COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC

InChI: InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.42 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization