Molecule ID: mol2365

SMILES: NCCSCCO

InChI: InChI=1S/C4H11NOS/c5-1-3-7-4-2-6/h6H,1-5H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.85 IUPAC digitized pKa 1 » 0
9.12 IUPAC digitized pKa 1 » 0
9.16 AttenGpKa training set 1 » 0
9.27 OCHEM 1 » 0
9.27 OCHEM 1 » 0
9.41 IUPAC digitized pKa 1 » 0
9.41 OCHEM 1 » 0
9.41 Hunt 1 » 0
9.41 OCHEM 1 » 0
9.71 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization