Molecule ID: mol38079

SMILES: COc1ccc(CNCC(O)CON=C(C2CC2)C2CC2)c(OC)c1

InChI: InChI=1S/C19H28N2O4/c1-23-17-8-7-15(18(9-17)24-2)10-20-11-16(22)12-25-21-19(13-3-4-13)14-5-6-14/h7-9,13-14,16,20,22H,3-6,10-12H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.15 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization