Molecule ID: mol28994
SMILES: CCCCNc1cccc(P(=O)(O)O)c1
InChI: InChI=1S/C10H16NO3P/c1-2-3-7-11-9-5-4-6-10(8-9)15(12,13)14/h4-6,8,11H,2-3,7H2,1H3,(H2,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.33 | QSARToolbox | -1 » -2 |
| 7.33 | AttenGpKa training set | -1 » -2 |