Molecule ID: mol103
SMILES: CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C
InChI: InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.54 | QSARToolbox | 1 » 0 |
| 9.54 | OCHEM | 1 » 0 |
| 9.54 | Baltruschat ChEMBL | 1 » 0 |
| 9.54 | Settimo | 1 » 0 |