Molecule ID: mol3986

SMILES: Cc1cncc(C)n1

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.57 AttenGpKa training set 2 » 1
-4.48 Datawarrior 2 » 1
2.11 OCHEM 1 » 0
2.11 Datawarrior 1 » 0
2.20 OCHEM 1 » 0
2.50 IUPAC digitized pKa 1 » 0
2.50 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization