Molecule ID: mol15394
SMILES: CCN1CCCC1CNC(=O)c1c(OC)ccc(Cl)c1O
InChI: InChI=1S/C15H21ClN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.07 | Datawarrior | 1 » 0 |
| 7.07 | OCHEM | 1 » 0 |
| 9.54 | Datawarrior | 0 » -1 |
| 9.54 | OCHEM | 0 » -1 |