Molecule ID: mol12254
SMILES: CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChI: InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | OCHEM | 0 » -1 |
| 2.40 | Baltruschat ChEMBL | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.40 | Baltruschat ChEMBL | 0 » -1 |
| 4.48 | AttenGpKa training set | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.53 | OCHEM | 0 » -1 |
| 4.53 | OCHEM | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | Baltruschat ChEMBL | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |