Molecule ID: mol31450
SMILES: O=C(O)/C=C/C(=O)NOCc1ccccc1
InChI: InChI=1S/C11H11NO4/c13-10(6-7-11(14)15)12-16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | AttenGpKa training set | 0 » -1 |
| 10.00 | AttenGpKa training set | -1 » -2 |