Molecule ID: mol7746

SMILES: NNc1ccc2cccnc2c1

InChI: InChI=1S/C9H9N3/c10-12-8-4-3-7-2-1-5-11-9(7)6-8/h1-6,12H,10H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.80 QSARToolbox 2 » 1
2.80 IUPAC digitized pKa 2 » 1
6.71 IUPAC digitized pKa 1 » 0
6.71 OCHEM 1 » 0
6.71 OCHEM 1 » 0
6.71 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization