Molecule ID: mol11625
SMILES: CCCC(C)C1(CC)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.96 | QSARToolbox | 0 » -1 |
| 7.96 | QSARToolbox | 0 » -1 |
| 7.97 | OCHEM | 0 » -1 |
| 8.02 | Baltruschat ChEMBL | 0 » -1 |
| 8.04 | QSARToolbox | 0 » -1 |
| 8.08 | OCHEM | 0 » -1 |
| 8.08 | Datawarrior | 0 » -1 |
| 8.10 | Baltruschat ChEMBL | 0 » -1 |
| 8.11 | QSARToolbox | 0 » -1 |
| 8.11 | QSARToolbox | 0 » -1 |
| 8.11 | IUPAC digitized pKa | 0 » -1 |
| 8.11 | OCHEM | 0 » -1 |
| 8.13 | OCHEM | 0 » -1 |
| 8.13 | OCHEM | 0 » -1 |
| 8.17 | AttenGpKa training set | 0 » -1 |
| 8.90 | QSARToolbox | 0 » -1 |
| 12.38 | Datawarrior | -1 » -2 |
| 12.38 | QSARToolbox | -1 » -2 |
| 12.67 | QSARToolbox | -1 » -2 |