Molecule ID: mol26324

SMILES: CC1=C(Cc2ccccc2)SC2N=C(N)N=C(N)C12

InChI: InChI=1S/C14H16N4S/c1-8-10(7-9-5-3-2-4-6-9)19-13-11(8)12(15)17-14(16)18-13/h2-6,11,13H,7H2,1H3,(H4,15,16,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.90 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization