Molecule ID: mol976
SMILES: Nc1ccc(C(=O)c2ccccc2)cc1
InChI: InChI=1S/C13H11NO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.02 | QSARToolbox | 1 » 0 |
| 2.02 | IUPAC digitized pKa | 1 » 0 |
| 2.06 | IUPAC digitized pKa | 1 » 0 |
| 2.12 | IUPAC digitized pKa | 1 » 0 |
| 2.15 | OCHEM | 1 » 0 |
| 2.15 | OCHEM | 1 » 0 |
| 2.17 | IUPAC digitized pKa | 1 » 0 |
| 2.17 | OCHEM | 1 » 0 |
| 2.17 | Hunt | 1 » 0 |
| 2.17 | QSARToolbox | 1 » 0 |
| 2.21 | OCHEM | 1 » 0 |
| 2.24 | IUPAC digitized pKa | 1 » 0 |
| 2.24 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.24 | OCHEM | 1 » 0 |
| 2.24 | OCHEM | 1 » 0 |
| 2.24 | Baltruschat ChEMBL | 1 » 0 |
| 2.24 | QSARToolbox | 1 » 0 |
| 2.28 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | IUPAC digitized pKa | 1 » 0 |