Molecule ID: mol11376
SMILES: C=CCC1(CC=C)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.62 | Baltruschat ChEMBL | 0 » -1 |
| 7.77 | QSARToolbox | 0 » -1 |
| 7.77 | QSARToolbox | 0 » -1 |
| 7.77 | QSARToolbox | 0 » -1 |
| 7.79 | QSARToolbox | 0 » -1 |
| 7.79 | QSARToolbox | 0 » -1 |
| 7.79 | IUPAC digitized pKa | 0 » -1 |
| 7.79 | AttenGpKa training set | 0 » -1 |
| 7.81 | OCHEM | 0 » -1 |
| 7.81 | OCHEM | 0 » -1 |