Molecule ID: mol33937

SMILES: COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12

InChI: InChI=1S/C19H22N4O3/c1-22(2)12-6-11-20-18-13-7-4-5-8-14(13)21-19-16(26-3)10-9-15(17(18)19)23(24)25/h4-5,7-10H,6,11-12H2,1-3H3,(H,20,21)

Experimental Macro pKa Values

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