Molecule ID: mol29020
SMILES: CCCCCCCCCCCCP(=O)(O)O
InChI: InChI=1S/C12H27O3P/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3,(H2,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.22 | AttenGpKa training set | 0 » -1 |
| 9.81 | AttenGpKa training set | -1 » -2 |