Molecule ID: mol3718
SMILES: OC(c1ccccc1)(c1ccccc1)c1ccccn1
InChI: InChI=1S/C18H15NO/c20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-14,20H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | IUPAC digitized pKa | 1 » 0 |
| 3.90 | Datawarrior | 1 » 0 |
| 3.90 | OCHEM | 1 » 0 |
| 3.90 | QSARToolbox | 1 » 0 |
| 3.90 | OCHEM | 1 » 0 |