Molecule ID: mol241

SMILES: NCCCSc1ccccc1

InChI: InChI=1S/C9H13NS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization