Molecule ID: mol17198
SMILES: Cc1ncc([N+](=O)[O-])n1CC(O)Cn1cc(C(=O)O)c(=O)c2cc(Cl)cc(Cl)c21
InChI: InChI=1S/C17H14Cl2N4O6/c1-8-20-4-14(23(28)29)22(8)6-10(24)5-21-7-12(17(26)27)16(25)11-2-9(18)3-13(19)15(11)21/h2-4,7,10,24H,5-6H2,1H3,(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.26 | OCHEM | 0 » -1 |
| 5.26 | Baltruschat ChEMBL | 0 » -1 |