Molecule ID: mol17229

SMILES: COc1ccc(O)c(/C=N/N=C(\S)Cc2ccccc2)c1

InChI: InChI=1S/C16H16N2O2S/c1-20-14-7-8-15(19)13(10-14)11-17-18-16(21)9-12-5-3-2-4-6-12/h2-8,10-11,19H,9H2,1H3,(H,18,21)/b17-11+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.60 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization