Molecule ID: mol9260

SMILES: O=c1cc(Cl)[nH]cn1

InChI: InChI=1S/C4H3ClN2O/c5-3-1-4(8)7-2-6-3/h1-2H,(H,6,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.43 IUPAC digitized pKa 0 » -1
7.43 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization