Molecule ID: mol13888
SMILES: NC(=O)CCCCc1ccncc1
InChI: InChI=1S/C10H14N2O/c11-10(13)4-2-1-3-9-5-7-12-8-6-9/h5-8H,1-4H2,(H2,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.92 | Datawarrior | 1 » 0 |
| 5.92 | QSARToolbox | 1 » 0 |
| 5.92 | OCHEM | 1 » 0 |