Molecule ID: mol25624

SMILES: Oc1ccc(Cl)cc1C1NNC(=S)N1c1ccccc1

InChI: InChI=1S/C14H12ClN3OS/c15-9-6-7-12(19)11(8-9)13-16-17-14(20)18(13)10-4-2-1-3-5-10/h1-8,13,16,19H,(H,17,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-5.61 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization