Molecule ID: mol1
SMILES: NC(Cc1ccccc1)C(=O)O
InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.24 | QSARToolbox | 1 » 0 |
| 1.83 | QSARToolbox | 1 » 0 |
| 2.01 | QSARToolbox | 1 » 0 |
| 2.01 | QSARToolbox | 1 » 0 |
| 2.04 | QSARToolbox | 1 » 0 |
| 2.04 | QSARToolbox | 1 » 0 |
| 2.16 | OCHEM | 1 » 0 |
| 2.16 | QSARToolbox | 1 » 0 |
| 2.16 | QSARToolbox | 1 » 0 |
| 2.18 | QSARToolbox | 1 » 0 |
| 2.18 | QSARToolbox | 1 » 0 |
| 2.20 | OCHEM | 1 » 0 |
| 2.20 | Settimo | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 2.21 | Datawarrior | 1 » 0 |
| 2.21 | QSARToolbox | 1 » 0 |
| 2.21 | QSARToolbox | 1 » 0 |
| 2.26 | OCHEM | 1 » 0 |
| 2.30 | Datawarrior | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 3.30 | QSARToolbox | 1 » 0 |
| 3.30 | QSARToolbox | 1 » 0 |
| 5.30 | QSARToolbox | 0 » -1 |
| 5.30 | QSARToolbox | 0 » -1 |
| 8.97 | QSARToolbox | 0 » -1 |
| 8.97 | QSARToolbox | 0 » -1 |
| 9.08 | Settimo | 0 » -1 |
| 9.10 | OCHEM | 0 » -1 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.14 | Datawarrior | 0 » -1 |
| 9.15 | QSARToolbox | 0 » -1 |
| 9.15 | OCHEM | 0 » -1 |
| 9.16 | QSARToolbox | 0 » -1 |
| 9.16 | QSARToolbox | 0 » -1 |
| 9.17 | Datawarrior | 0 » -1 |
| 9.18 | QSARToolbox | 0 » -1 |
| 9.18 | QSARToolbox | 0 » -1 |
| 9.18 | QSARToolbox | 0 » -1 |
| 9.18 | QSARToolbox | 0 » -1 |
| 9.23 | OCHEM | 0 » -1 |
| 9.24 | QSARToolbox | 0 » -1 |
| 9.24 | QSARToolbox | 0 » -1 |
| 9.25 | QSARToolbox | 0 » -1 |
| 9.25 | QSARToolbox | 0 » -1 |
| 9.31 | QSARToolbox | 0 » -1 |
| 9.31 | QSARToolbox | 0 » -1 |
| 9.33 | QSARToolbox | 0 » -1 |
| 9.33 | QSARToolbox | 0 » -1 |
| 11.42 | QSARToolbox | 0 » -1 |
| 11.42 | QSARToolbox | 0 » -1 |
| 11.42 | QSARToolbox | 0 » -1 |
| 12.31 | QSARToolbox | 0 » -1 |
| 12.31 | QSARToolbox | 0 » -1 |