Molecule ID: mol13580

SMILES: O=C(O)Cn1ncnn1

InChI: InChI=1S/C3H4N4O2/c8-3(9)1-7-5-2-4-6-7/h2H,1H2,(H,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-4.53 AttenGpKa training set 2 » 1
2.12 QSARToolbox 0 » -1
2.12 QSARToolbox 0 » -1
2.12 OCHEM 0 » -1
2.12 Datawarrior 0 » -1
2.12 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization