Molecule ID: mol7218

SMILES: CN(C)c1cc(Cl)nc(N(C)C)n1

InChI: InChI=1S/C8H13ClN4/c1-12(2)7-5-6(9)10-8(11-7)13(3)4/h5H,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization