Molecule ID: mol17195
SMILES: Cc1ncc([N+](=O)[O-])n1CC(O)Cn1cc(C(=O)O)c(=O)c2cc(F)ccc21
InChI: InChI=1S/C17H15FN4O6/c1-9-19-5-15(22(27)28)21(9)7-11(23)6-20-8-13(17(25)26)16(24)12-4-10(18)2-3-14(12)20/h2-5,8,11,23H,6-7H2,1H3,(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.18 | OCHEM | 0 » -1 |
| 5.18 | Baltruschat ChEMBL | 0 » -1 |