Molecule ID: mol14500
SMILES: CN1c2ccccc2Nc2ccc(O)cc21
InChI: InChI=1S/C13H12N2O/c1-15-12-5-3-2-4-10(12)14-11-7-6-9(16)8-13(11)15/h2-8,14,16H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | Datawarrior | 1 » 0 |
| 1.00 | OCHEM | 1 » 0 |
| 1.00 | QSARToolbox | 1 » 0 |
| 10.10 | Datawarrior | 0 » -1 |
| 10.10 | OCHEM | 0 » -1 |