Molecule ID: mol29365

SMILES: O=C(O)C1CSC(C2CCCCC2)N1

InChI: InChI=1S/C10H17NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h7-9,11H,1-6H2,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization