Molecule ID: mol249

SMILES: NCCCCCSc1ccccc1

InChI: InChI=1S/C11H17NS/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,12H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.50 OCHEM 1 » 0
10.50 AvLiLuMoVe 1 » 0
10.50 Settimo 1 » 0
10.50 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization