Molecule ID: mol38078

SMILES: COc1ccc(CCNCC(O)CON=C(C2CC2)C2CC2)cc1OC

InChI: InChI=1S/C20H30N2O4/c1-24-18-8-3-14(11-19(18)25-2)9-10-21-12-17(23)13-26-22-20(15-4-5-15)16-6-7-16/h3,8,11,15-17,21,23H,4-7,9-10,12-13H2,1-2H3

Experimental Macro pKa Values

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