Molecule ID: mol14549
SMILES: NC(=O)C(c1ccccc1)c1ccccn1
InChI: InChI=1S/C13H12N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9,12H,(H2,14,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 1 » 0 |
| 3.80 | Datawarrior | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |