Molecule ID: mol12615
SMILES: NC(=O)CCCc1ccccn1
InChI: InChI=1S/C9H12N2O/c10-9(12)6-3-5-8-4-1-2-7-11-8/h1-2,4,7H,3,5-6H2,(H2,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.48 | Datawarrior | 1 » 0 |
| 5.48 | OCHEM | 1 » 0 |
| 5.48 | QSARToolbox | 1 » 0 |