Molecule ID: mol25592

SMILES: Oc1cccc(C2NNC(=S)N2c2ccccc2)c1

InChI: InChI=1S/C14H13N3OS/c18-12-8-4-5-10(9-12)13-15-16-14(19)17(13)11-6-2-1-3-7-11/h1-9,13,15,18H,(H,16,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-5.17 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization