Molecule ID: mol2074
SMILES: CCOC(=O)c1ccc(N)cc1
InChI: InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.37 | IUPAC digitized pKa | 1 » 0 |
| 2.44 | OCHEM | 1 » 0 |
| 2.46 | OCHEM | 1 » 0 |
| 2.50 | Baltruschat ChEMBL | 1 » 0 |
| 2.50 | Baltruschat ChEMBL | 1 » 0 |
| 2.50 | Jensen | 1 » 0 |
| 2.51 | IUPAC digitized pKa | 1 » 0 |
| 2.51 | OCHEM | 1 » 0 |
| 2.51 | OCHEM | 1 » 0 |
| 2.51 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.51 | AttenGpKa training set | 1 » 0 |
| 2.52 | OCHEM | 1 » 0 |
| 2.52 | OCHEM | 1 » 0 |
| 2.52 | OCHEM | 1 » 0 |
| 2.52 | Hunt | 1 » 0 |
| 2.58 | OCHEM | 1 » 0 |
| 2.58 | Datawarrior | 1 » 0 |
| 2.80 | IUPAC digitized pKa | 1 » 0 |