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
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.90 | Baltruschat ChEMBL | 0 » -1 |