Molecule ID: mol28928
SMILES: N#Cc1ccc(P(=O)(O)O)cc1
InChI: InChI=1S/C7H6NO3P/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.27 | AttenGpKa training set | 0 » -1 |
| 6.79 | AttenGpKa training set | -1 » -2 |