Molecule ID: mol34493

SMILES: COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c(C)c(C)nc12

InChI: InChI=1S/C17H24N4O3/c1-11-12(2)19-17-14(24-5)8-7-13(21(22)23)15(17)16(11)18-9-6-10-20(3)4/h7-8H,6,9-10H2,1-5H3,(H,18,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.64 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization