Molecule ID: mol29626

SMILES: NC(=S)N/N=C1\C=Cc2ccccc2C1=O

InChI: InChI=1S/C11H9N3OS/c12-11(16)14-13-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-6H,(H3,12,14,16)/b13-9+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.27 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization