Molecule ID: mol35372
SMILES: CCCCCCN=Cc1c(COP(=O)(O)O)cnc(C)c1O
InChI: InChI=1S/C14H23N2O5P/c1-3-4-5-6-7-15-9-13-12(10-21-22(18,19)20)8-16-11(2)14(13)17/h8-9,17H,3-7,10H2,1-2H3,(H2,18,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.99 | QSARToolbox | 0 » -1 |
| 6.91 | QSARToolbox | 0 » -1 |