Molecule ID: mol6653

SMILES: CC(C)(C)n1ccnc1

InChI: InChI=1S/C7H12N2/c1-7(2,3)9-5-4-8-6-9/h4-6H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization