Molecule ID: mol11888
SMILES: CCN(CC)CCOc1ccccc1C(=O)NO
InChI: InChI=1S/C13H20N2O3/c1-3-15(4-2)9-10-18-12-8-6-5-7-11(12)13(16)14-17/h5-8,17H,3-4,9-10H2,1-2H3,(H,14,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.42 | IUPAC digitized pKa | 1 » 0 |
| 8.42 | Datawarrior | 1 » 0 |
| 8.42 | QSARToolbox | 1 » 0 |
| 8.42 | OCHEM | 1 » 0 |