Molecule ID: mol35993

SMILES: O=C(O)C1CSc2c(O)ccc[n+]21

InChI: InChI=1S/C8H7NO3S/c10-6-2-1-3-9-5(8(11)12)4-13-7(6)9/h1-3,5H,4H2,(H-,10,11,12)/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.20 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization