Molecule ID: mol24951

SMILES: C[N+](C)(C)c1ccc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)cc1

InChI: InChI=1S/C15H17N3O3S/c1-18(2,3)14-8-4-12(5-9-14)16-17-13-6-10-15(11-7-13)22(19,20)21/h4-11H,1-3H3/b17-16+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.95 AttenGpKa training set 3 » 2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization