Molecule ID: mol4977
SMILES: Nc1ccc2cc3cc(C(=O)O)ccc3nc2c1
InChI: InChI=1S/C14H10N2O2/c15-11-3-1-8-5-10-6-9(14(17)18)2-4-12(10)16-13(8)7-11/h1-7H,15H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.30 | QSARToolbox | 1 » 0 |
| 2.30 | QSARToolbox | 1 » 0 |
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 2.30 | AttenGpKa training set | 1 » 0 |
| 8.00 | IUPAC digitized pKa | 0 » -1 |
| 8.00 | OCHEM | 0 » -1 |
| 8.00 | QSARToolbox | 0 » -1 |
| 8.00 | QSARToolbox | 0 » -1 |