Molecule ID: mol5
SMILES: NC(Cc1c[nH]c2ccccc12)C(=O)O
InChI: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | Datawarrior | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 2.30 | OCHEM | 1 » 0 |
| 2.30 | Settimo | 1 » 0 |
| 2.33 | QSARToolbox | 1 » 0 |
| 2.34 | OCHEM | 1 » 0 |
| 2.38 | QSARToolbox | 1 » 0 |
| 2.38 | QSARToolbox | 1 » 0 |
| 2.38 | QSARToolbox | 1 » 0 |
| 2.38 | QSARToolbox | 1 » 0 |
| 2.39 | QSARToolbox | 1 » 0 |
| 2.46 | QSARToolbox | 1 » 0 |
| 2.46 | QSARToolbox | 1 » 0 |
| 2.48 | Datawarrior | 1 » 0 |
| 7.38 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.38 | QSARToolbox | 0 » -1 |
| 9.30 | OCHEM | 0 » -1 |
| 9.30 | Settimo | 0 » -1 |
| 9.30 | QSARToolbox | 0 » -1 |
| 9.30 | QSARToolbox | 0 » -1 |
| 9.31 | Datawarrior | 0 » -1 |
| 9.38 | OCHEM | 0 » -1 |
| 9.39 | QSARToolbox | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |
| 9.43 | QSARToolbox | 0 » -1 |
| 9.43 | QSARToolbox | 0 » -1 |
| 9.44 | Datawarrior | 0 » -1 |
| 9.55 | QSARToolbox | 0 » -1 |
| 9.57 | QSARToolbox | 0 » -1 |