Molecule ID: mol34876

SMILES: COc1cncc(N/C(=C/[N+](=O)[O-])N[C@@H](C)C(C)(C)C)c1

InChI: InChI=1S/C14H22N4O3/c1-10(14(2,3)4)16-13(9-18(19)20)17-11-6-12(21-5)8-15-7-11/h6-10,16-17H,1-5H3/b13-9+/t10-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization