Molecule ID: mol18256

SMILES: C/C(=N\N/C(S)=N/N=C(\S)N(C)C)c1ccccn1

InChI: InChI=1S/C11H16N6S2/c1-8(9-6-4-5-7-12-9)13-14-10(18)15-16-11(19)17(2)3/h4-7H,1-3H3,(H,16,19)(H2,14,15,18)/b13-8+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.10 Baltruschat ChEMBL 1 » 0
8.40 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization