Molecule ID: mol5314
SMILES: CN(C)c1ccc(P(=O)(O)O)cc1
InChI: InChI=1S/C8H12NO3P/c1-9(2)7-3-5-8(6-4-7)13(10,11)12/h3-6H,1-2H3,(H2,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | IUPAC digitized pKa | 1 » 0 |
| 2.00 | OCHEM | 1 » 0 |
| 2.00 | QSARToolbox | 1 » 0 |
| 2.00 | QSARToolbox | 1 » 0 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | OCHEM | 0 » -1 |
| 7.35 | QSARToolbox | -1 » -2 |
| 7.35 | OCHEM | -1 » -2 |
| 7.35 | AttenGpKa training set | -1 » -2 |
| 7.39 | IUPAC digitized pKa | -1 » -2 |