Molecule ID: mol36661

SMILES: CON=C(C)c1cc(C)cc(C(=O)Nc2nnn[nH]2)c1O

InChI: InChI=1S/C12H14N6O3/c1-6-4-8(7(2)16-21-3)10(19)9(5-6)11(20)13-12-14-17-18-15-12/h4-5,19H,1-3H3,(H2,13,14,15,17,18,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.83 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization