Molecule ID: mol26276

SMILES: O=S(=O)(O)C1NC=Nc2ccccc21

InChI: InChI=1S/C8H8N2O3S/c11-14(12,13)8-6-3-1-2-4-7(6)9-5-10-8/h1-5,8H,(H,9,10)(H,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization