Molecule ID: mol19517

SMILES: CO[C@H]1C(=O)N2C(C(=O)C(C)(C)C)=C(C)C(Sc3nc(=O)c(=O)[nH]n3C)S(=O)(=O)[C@H]12

InChI: InChI=1S/C17H22N4O7S2/c1-7-8(10(22)17(2,3)4)21-13(25)9(28-6)14(21)30(26,27)15(7)29-16-18-11(23)12(24)19-20(16)5/h9,14-15H,1-6H3,(H,19,24)/t9-,14+,15?/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization