Molecule ID: mol243

SMILES: NCCCCSc1ccccc1

InChI: InChI=1S/C10H15NS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization