Molecule ID: mol11154
SMILES: CN(Cc1ccccc1)C(=N)NP(=O)(O)O
InChI: InChI=1S/C9H14N3O3P/c1-12(9(10)11-16(13,14)15)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H4,10,11,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.26 | IUPAC digitized pKa | 1 » 0 |
| 4.33 | IUPAC digitized pKa | 0 » -1 |
| 11.50 | IUPAC digitized pKa | -2 » -3 |