Molecule ID: mol4185

SMILES: CNc1cc(N(C)C)ncn1

InChI: InChI=1S/C7H12N4/c1-8-6-4-7(11(2)3)10-5-9-6/h4-5H,1-3H3,(H,8,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.37 IUPAC digitized pKa 1 » 0
6.39 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization