Molecule ID: mol31436
SMILES: O=C(NO)c1cccc(C(=O)NO)n1
InChI: InChI=1S/C7H7N3O4/c11-6(9-13)4-2-1-3-5(8-4)7(12)10-14/h1-3,13-14H,(H,9,11)(H,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | AttenGpKa training set | 1 » 0 |
| 7.64 | AttenGpKa training set | 0 » -1 |
| 8.80 | AttenGpKa training set | 0 » -1 |