Molecule ID: mol3317
SMILES: Nc1ccc(C(=O)c2ccc(N)cc2)cc1
InChI: InChI=1S/C13H12N2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,14-15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.37 | QSARToolbox | 1 » 0 |
| 1.37 | Datawarrior | 1 » 0 |
| 1.37 | QSARToolbox | 1 » 0 |
| 1.40 | OCHEM | 1 » 0 |
| 2.92 | Datawarrior | 1 » 0 |
| 2.92 | QSARToolbox | 1 » 0 |
| 2.92 | OCHEM | 1 » 0 |
| 2.93 | QSARToolbox | 1 » 0 |
| 2.93 | OCHEM | 1 » 0 |
| 2.93 | OCHEM | 1 » 0 |