Molecule ID: mol37466

SMILES: O=C(O)[C@@H]1CSC(C[C@@H](O)[C@H](O)[C@H](O)CO)N1

InChI: InChI=1S/C9H17NO6S/c11-2-6(13)8(14)5(12)1-7-10-4(3-17-7)9(15)16/h4-8,10-14H,1-3H2,(H,15,16)/t4-,5+,6+,7?,8-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization