Molecule ID: mol12029
SMILES: O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1
InChI: InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | Baltruschat ChEMBL | 1 » 0 |
| 8.00 | Baltruschat ChEMBL | 0 » -1 |
| 8.00 | Baltruschat ChEMBL | 0 » -1 |
| 8.27 | AttenGpKa training set | 0 » -1 |
| 8.30 | OCHEM | 0 » -1 |
| 8.30 | Baltruschat ChEMBL | 0 » -1 |
| 8.31 | OCHEM | 0 » -1 |
| 8.33 | OCHEM | 0 » -1 |
| 13.70 | AttenGpKa training set | -1 » -2 |