Molecule ID: mol30800

SMILES: Cc1nnc(/N=N/c2cc(C)c(C)cc2O)s1

InChI: InChI=1S/C11H12N4OS/c1-6-4-9(10(16)5-7(6)2)13-15-11-14-12-8(3)17-11/h4-5,16H,1-3H3/b15-13+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.88 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization