Molecule ID: mol17197
SMILES: Cc1ncc([N+](=O)[O-])n1CC(O)Cn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21
InChI: InChI=1S/C17H14ClFN4O6/c1-8-20-4-15(23(28)29)22(8)6-9(24)5-21-7-11(17(26)27)16(25)10-2-13(19)12(18)3-14(10)21/h2-4,7,9,24H,5-6H2,1H3,(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.15 | OCHEM | 0 » -1 |
| 5.15 | Baltruschat ChEMBL | 0 » -1 |