Molecule ID: mol12809

SMILES: OC[C@H]1O[C@@H]2NC(=S)O[C@@H]2[C@H]1O

InChI: InChI=1S/C6H9NO4S/c8-1-2-3(9)4-5(10-2)7-6(12)11-4/h2-5,8-9H,1H2,(H,7,12)/t2-,3+,4-,5+/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.48 QSARToolbox 0 » -1
9.48 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization