Molecule ID: mol15392
SMILES: COc1c(Cl)cc(Cl)c(O)c1C(=O)NC1CCN(C)CC1
InChI: InChI=1S/C14H18Cl2N2O3/c1-18-5-3-8(4-6-18)17-14(20)11-12(19)9(15)7-10(16)13(11)21-2/h7-8,19H,3-6H2,1-2H3,(H,17,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.02 | Datawarrior | 1 » 0 |
| 6.02 | OCHEM | 1 » 0 |
| 9.12 | OCHEM | 0 » -1 |
| 9.12 | Datawarrior | 0 » -1 |