Molecule ID: mol1062
SMILES: COc1cccc(N)c1
InChI: InChI=1S/C7H9NO/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.09 | QSARToolbox | 1 » 0 |
| 3.80 | IUPAC digitized pKa | 1 » 0 |
| 3.87 | IUPAC digitized pKa | 1 » 0 |
| 3.95 | IUPAC digitized pKa | 1 » 0 |
| 3.99 | IUPAC digitized pKa | 1 » 0 |
| 4.03 | IUPAC digitized pKa | 1 » 0 |
| 4.08 | IUPAC digitized pKa | 1 » 0 |
| 4.12 | IUPAC digitized pKa | 1 » 0 |
| 4.15 | IUPAC digitized pKa | 1 » 0 |
| 4.20 | QSARToolbox | 1 » 0 |
| 4.20 | QSARToolbox | 1 » 0 |
| 4.20 | QSARToolbox | 1 » 0 |
| 4.20 | QSARToolbox | 1 » 0 |
| 4.20 | IUPAC digitized pKa | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | Hunt | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | IUPAC digitized pKa | 1 » 0 |
| 4.21 | QSARToolbox | 1 » 0 |
| 4.23 | IUPAC digitized pKa | 1 » 0 |
| 4.23 | IUPAC digitized pKa | 1 » 0 |
| 4.23 | Datawarrior | 1 » 0 |
| 4.23 | OCHEM | 1 » 0 |
| 4.23 | AttenGpKa training set | 1 » 0 |
| 4.23 | QSARToolbox | 1 » 0 |
| 4.24 | OCHEM | 1 » 0 |
| 4.24 | QSARToolbox | 1 » 0 |
| 4.24 | IUPAC digitized pKa | 1 » 0 |
| 4.24 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.29 | IUPAC digitized pKa | 1 » 0 |
| 4.30 | IUPAC digitized pKa | 1 » 0 |
| 4.36 | QSARToolbox | 1 » 0 |
| 4.38 | IUPAC digitized pKa | 1 » 0 |
| 4.47 | IUPAC digitized pKa | 1 » 0 |
| 4.57 | IUPAC digitized pKa | 1 » 0 |