Molecule ID: mol29590

SMILES: N=C(N)NC(=O)c1nc(F)c(N)nc1N

InChI: InChI=1S/C6H8FN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization