Molecule ID: mol1128
SMILES: CCN(CC)CCOC(=O)c1ccc(Cl)cc1
InChI: InChI=1S/C13H18ClNO2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.12 | QSARToolbox | 1 » 0 |
| 8.08 | IUPAC digitized pKa | 1 » 0 |
| 8.08 | Hunt | 1 » 0 |
| 8.08 | OCHEM | 1 » 0 |