Molecule ID: mol10693
SMILES: CCC1(CC)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.43 | QSARToolbox | 0 » -1 |
| 7.43 | QSARToolbox | 0 » -1 |
| 7.50 | IUPAC digitized pKa | 0 » -1 |
| 7.54 | IUPAC digitized pKa | 0 » -1 |
| 7.58 | QSARToolbox | 0 » -1 |
| 7.59 | IUPAC digitized pKa | 0 » -1 |
| 7.63 | IUPAC digitized pKa | 0 » -1 |
| 7.68 | IUPAC digitized pKa | 0 » -1 |
| 7.68 | IUPAC digitized pKa | 0 » -1 |
| 7.70 | AttenGpKa training set | 0 » -1 |
| 7.74 | IUPAC digitized pKa | 0 » -1 |
| 7.75 | IUPAC digitized pKa | 0 » -1 |
| 7.75 | Baltruschat ChEMBL | 0 » -1 |
| 7.81 | IUPAC digitized pKa | 0 » -1 |
| 7.81 | QSARToolbox | 0 » -1 |
| 7.82 | IUPAC digitized pKa | 0 » -1 |
| 7.85 | IUPAC digitized pKa | 0 » -1 |
| 7.88 | IUPAC digitized pKa | 0 » -1 |
| 7.89 | IUPAC digitized pKa | 0 » -1 |
| 7.91 | QSARToolbox | 0 » -1 |
| 7.91 | QSARToolbox | 0 » -1 |
| 7.91 | IUPAC digitized pKa | 0 » -1 |
| 7.92 | QSARToolbox | 0 » -1 |
| 7.94 | QSARToolbox | 0 » -1 |
| 7.95 | IUPAC digitized pKa | 0 » -1 |
| 7.96 | IUPAC digitized pKa | 0 » -1 |
| 7.96 | QSARToolbox | 0 » -1 |
| 7.97 | QSARToolbox | 0 » -1 |
| 7.98 | OCHEM | 0 » -1 |
| 7.98 | OCHEM | 0 » -1 |
| 7.98 | QSARToolbox | 0 » -1 |
| 8.00 | QSARToolbox | 0 » -1 |
| 8.00 | QSARToolbox | 0 » -1 |
| 8.00 | QSARToolbox | 0 » -1 |
| 8.02 | IUPAC digitized pKa | 0 » -1 |
| 8.03 | IUPAC digitized pKa | 0 » -1 |
| 8.09 | IUPAC digitized pKa | 0 » -1 |
| 8.11 | IUPAC digitized pKa | 0 » -1 |
| 8.17 | IUPAC digitized pKa | 0 » -1 |
| 8.18 | IUPAC digitized pKa | 0 » -1 |
| 8.23 | IUPAC digitized pKa | 0 » -1 |
| 12.31 | AttenGpKa training set | 2 » 1 |
| 12.31 | QSARToolbox | 2 » 1 |
| 12.70 | IUPAC digitized pKa | 2 » 1 |
| 12.80 | QSARToolbox | 2 » 1 |