Molecule ID: mol11624
SMILES: CCC1(CCC(C)C)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)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 |
|---|---|---|
| 7.59 | IUPAC digitized pKa | 0 » -1 |
| 7.59 | QSARToolbox | 0 » -1 |
| 7.59 | IUPAC digitized pKa | 0 » -1 |
| 7.67 | IUPAC digitized pKa | 0 » -1 |
| 7.70 | IUPAC digitized pKa | 0 » -1 |
| 7.75 | IUPAC digitized pKa | 0 » -1 |
| 7.78 | Baltruschat ChEMBL | 0 » -1 |
| 7.80 | Baltruschat ChEMBL | 0 » -1 |
| 7.80 | Baltruschat ChEMBL | 0 » -1 |
| 7.82 | IUPAC digitized pKa | 0 » -1 |
| 7.82 | IUPAC digitized pKa | 0 » -1 |
| 7.89 | QSARToolbox | 0 » -1 |
| 7.89 | IUPAC digitized pKa | 0 » -1 |
| 7.94 | IUPAC digitized pKa | 0 » -1 |
| 7.95 | OCHEM | 0 » -1 |
| 7.95 | OCHEM | 0 » -1 |
| 7.96 | IUPAC digitized pKa | 0 » -1 |
| 7.96 | AttenGpKa training set | 0 » -1 |
| 7.96 | QSARToolbox | 0 » -1 |
| 7.96 | QSARToolbox | 0 » -1 |
| 8.00 | QSARToolbox | 0 » -1 |
| 8.03 | IUPAC digitized pKa | 0 » -1 |
| 8.06 | IUPAC digitized pKa | 0 » -1 |
| 8.09 | IUPAC digitized pKa | 0 » -1 |
| 8.19 | IUPAC digitized pKa | 0 » -1 |
| 12.13 | QSARToolbox | -1 » -2 |
| 12.42 | AttenGpKa training set | -1 » -2 |
| 12.42 | QSARToolbox | -1 » -2 |