Molecule ID: mol4643

SMILES: Cc1ccc2cncnc2c1

InChI: InChI=1S/C9H8N2/c1-7-2-3-8-5-10-6-11-9(8)4-7/h2-6H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.49 IUPAC digitized pKa 1 » 0
3.15 QSARToolbox 1 » 0
3.17 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization