Molecule ID: SM20

SMILES: O=C1NC(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)S1

InChI: InChI=1S/C17H11Cl2NO3S/c18-12-5-4-11(14(19)8-12)9-23-13-3-1-2-10(6-13)7-15-16(21)20-17(22)24-15/h1-8H,9H2,(H,20,21,22)/b15-7+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.70 SAMPL6 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization