Molecule ID: mol85
SMILES: CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C
InChI: InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.06 | AvLiLuMoVe | 1 » 0 |
| 9.06 | Settimo | 1 » 0 |