Molecule ID: mol20231

SMILES: O=C(O)CCCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O

InChI: InChI=1S/C16H15NO4S/c18-14(19)10-5-11-17-15(20)13(22-16(17)21)9-4-8-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2,(H,18,19)/b8-4+,13-9-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization