Molecule ID: mol28045
SMILES: CCOP(=O)(O)N/C(N)=N/C
InChI: InChI=1S/C4H12N3O3P/c1-3-10-11(8,9)7-4(5)6-2/h3H2,1-2H3,(H4,5,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.31 | AttenGpKa training set | 1 » 0 |
| 7.40 | AttenGpKa training set | 0 » -1 |