Molecule ID: mol12611
SMILES: NC(=O)CCCc1cccnc1
InChI: InChI=1S/C9H12N2O/c10-9(12)5-1-3-8-4-2-6-11-7-8/h2,4,6-7H,1,3,5H2,(H2,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.33 | OCHEM | 1 » 0 |
| 5.33 | QSARToolbox | 1 » 0 |
| 5.33 | Datawarrior | 1 » 0 |