Molecule ID: mol13887
SMILES: NC(=O)CCCCc1ccccn1
InChI: InChI=1S/C10H14N2O/c11-10(13)7-2-1-5-9-6-3-4-8-12-9/h3-4,6,8H,1-2,5,7H2,(H2,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.73 | Datawarrior | 1 » 0 |
| 5.73 | OCHEM | 1 » 0 |
| 5.73 | QSARToolbox | 1 » 0 |