Molecule ID: mol29648

SMILES: COc1nc(N)c(C(=O)NC(=N)N)nc1Cl

InChI: InChI=1S/C7H9ClN6O2/c1-16-6-3(8)12-2(4(9)13-6)5(15)14-7(10)11/h1H3,(H2,9,13)(H4,10,11,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.25 QSARToolbox 1 » 0
8.25 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization