Molecule ID: mol3387

SMILES: Nc1ccc(/N=N/c2ccccc2)cc1

InChI: InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2/b15-14+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.77 AttenGpKa training set 1 » 0
2.80 IUPAC digitized pKa 1 » 0
2.82 QSARToolbox 1 » 0
2.82 IUPAC digitized pKa 1 » 0
2.82 Datawarrior 1 » 0
2.90 IUPAC digitized pKa 1 » 0
3.32 IUPAC digitized pKa 1 » 0
3.33 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization