Molecule ID: mol13364

SMILES: Cc1cc(C)n(-c2cc(C)n(C)n2)n1

InChI: InChI=1S/C10H14N4/c1-7-5-9(3)14(11-7)10-6-8(2)13(4)12-10/h5-6H,1-4H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.90 Datawarrior 2 » 1
2.19 Datawarrior 1 » 0
2.19 QSARToolbox 1 » 0
2.19 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization