Molecule ID: mol599
SMILES: CCC1(c2ccccc2)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.19 | OCHEM | 0 » -1 |
| 7.20 | Baltruschat ChEMBL | 0 » -1 |
| 7.21 | QSARToolbox | 0 » -1 |
| 7.23 | QSARToolbox | 0 » -1 |
| 7.26 | Baltruschat ChEMBL | 0 » -1 |
| 7.30 | OCHEM | 0 » -1 |
| 7.30 | OCHEM | 0 » -1 |
| 7.30 | QSARToolbox | 0 » -1 |
| 7.30 | QSARToolbox | 0 » -1 |
| 7.30 | QSARToolbox | 0 » -1 |
| 7.34 | QSARToolbox | 0 » -1 |
| 7.35 | QSARToolbox | 0 » -1 |
| 7.40 | Baltruschat ChEMBL | 0 » -1 |
| 7.41 | QSARToolbox | 0 » -1 |
| 7.44 | QSARToolbox | 0 » -1 |
| 7.45 | QSARToolbox | 0 » -1 |
| 7.45 | QSARToolbox | 0 » -1 |
| 7.45 | OCHEM | 0 » -1 |
| 7.45 | OCHEM | 0 » -1 |
| 7.48 | OCHEM | 0 » -1 |
| 7.48 | OCHEM | 0 » -1 |
| 7.48 | QSARToolbox | 0 » -1 |
| 7.49 | Baltruschat ChEMBL | 0 » -1 |
| 7.50 | OCHEM | 0 » -1 |
| 7.50 | Hunt | 0 » -1 |
| 7.50 | Baltruschat ChEMBL | 0 » -1 |
| 7.50 | Baltruschat ChEMBL | 0 » -1 |
| 7.54 | AttenGpKa training set | 0 » -1 |
| 8.48 | QSARToolbox | 0 » -1 |
| 11.60 | QSARToolbox | -1 » -2 |
| 11.77 | QSARToolbox | -1 » -2 |
| 11.85 | OCHEM | -1 » -2 |
| 11.96 | AttenGpKa training set | -1 » -2 |