Molecule ID: mol6772

SMILES: Nc1ncc(Cl)nc1C=O

InChI: InChI=1S/C5H4ClN3O/c6-4-1-8-5(7)3(2-10)9-4/h1-2H,(H2,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.68 QSARToolbox 1 » 0
-0.68 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization