Molecule ID: mol12627
SMILES: O=[N+]([O-])c1ccc(NCO)cc1
InChI: InChI=1S/C7H8N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4,8,10H,5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.33 | OCHEM | 1 » 0 |
| -0.33 | Datawarrior | 1 » 0 |
| -0.33 | AttenGpKa training set | 1 » 0 |