Molecule ID: mol34745

SMILES: CC(=O)c1c(C)c(C)cc(C(=O)Nc2nnn[nH]2)c1O

InChI: InChI=1S/C12H13N5O3/c1-5-4-8(10(19)9(6(5)2)7(3)18)11(20)13-12-14-16-17-15-12/h4,19H,1-3H3,(H2,13,14,15,16,17,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization