Molecule ID: mol13293
SMILES: CCN(CC)Cc1c(O)cccc1Cl
InChI: InChI=1S/C11H16ClNO/c1-3-13(4-2)8-9-10(12)6-5-7-11(9)14/h5-7,14H,3-4,8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | Datawarrior | 1 » 0 |
| 7.50 | OCHEM | 1 » 0 |
| 7.50 | QSARToolbox | 1 » 0 |