Molecule ID: mol17196
SMILES: Cc1ncc([N+](=O)[O-])n1CC(O)Cn1cc(C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21
InChI: InChI=1S/C18H15F3N4O6/c1-9-22-5-15(25(30)31)24(9)7-11(26)6-23-8-13(17(28)29)16(27)12-3-2-10(4-14(12)23)18(19,20)21/h2-5,8,11,26H,6-7H2,1H3,(H,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.60 | OCHEM | 0 » -1 |
| 5.60 | Baltruschat ChEMBL | 0 » -1 |