Molecule ID: mol7405

SMILES: CN(C)c1ccnc(S)n1

InChI: InChI=1S/C6H9N3S/c1-9(2)5-3-4-7-6(10)8-5/h3-4H,1-2H3,(H,7,8,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization