Molecule ID: mol3466
SMILES: N=C(c1ccccc1)c1ccccc1O
InChI: InChI=1S/C13H11NO/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15/h1-9,14-15H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | Datawarrior | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 9.00 | QSARToolbox | 1 » 0 |