Molecule ID: mol15092
SMILES: CCN1CCCC1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
InChI: InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.75 | Datawarrior | 1 » 0 |
| 5.75 | OCHEM | 1 » 0 |
| 9.12 | OCHEM | 0 » -1 |
| 9.12 | Datawarrior | 0 » -1 |