Molecule ID: mol34001

SMILES: COC(=O)c1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12

InChI: InChI=1S/C20H22N4O4/c1-23(2)12-6-11-21-18-13-7-4-5-8-15(13)22-19-14(20(25)28-3)9-10-16(17(18)19)24(26)27/h4-5,7-10H,6,11-12H2,1-3H3,(H,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.35 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization