Molecule ID: mol3047
SMILES: COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C
InChI: InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.15 | OCHEM | 1 » 0 |
| 8.15 | OCHEM | 1 » 0 |
| 8.15 | OCHEM | 1 » 0 |
| 8.15 | AvLiLuMoVe | 1 » 0 |
| 8.21 | QSARToolbox | 1 » 0 |