Molecule ID: mol4174

SMILES: Cc1cc(C)ncn1

InChI: InChI=1S/C6H8N2/c1-5-3-6(2)8-4-7-5/h3-4H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.40 OCHEM 1 » 0
2.70 Datawarrior 1 » 0
2.70 Organic Oxygen Acids and Nitrogen Bases 1 » 0
2.70 OCHEM 1 » 0
2.70 OCHEM 1 » 0
2.70 OCHEM 1 » 0
2.70 AttenGpKa training set 1 » 0
2.70 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization