Molecule ID: mol14238
SMILES: OCCCNc1ccccc1
InChI: InChI=1S/C9H13NO/c11-8-4-7-10-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.53 | Datawarrior | 1 » 0 |
| 4.53 | OCHEM | 1 » 0 |
| 4.53 | QSARToolbox | 1 » 0 |
| 4.60 | AttenGpKa training set | 1 » 0 |