Molecule ID: mol7409

SMILES: CNc1ccnc(N(C)C)n1

InChI: InChI=1S/C7H12N4/c1-8-6-4-5-9-7(10-6)11(2)3/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
8.08 IUPAC digitized pKa 1 » 0
8.10 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization