Molecule ID: mol19520
SMILES: CO[C@H]1C(=O)N2C(C(=O)c3ccccc3)=C(C)C(Sc3nc(=O)c(=O)[nH]n3C)S(=O)(=O)[C@H]12
InChI: InChI=1S/C19H18N4O7S2/c1-9-11(12(24)10-7-5-4-6-8-10)23-16(27)13(30-3)17(23)32(28,29)18(9)31-19-20-14(25)15(26)21-22(19)2/h4-8,13,17-18H,1-3H3,(H,21,26)/t13-,17+,18?/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | Baltruschat ChEMBL | 0 » -1 |