Molecule ID: mol15053
SMILES: COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@@H]([C@H]2O)N(C)CC[C@]314
InChI: InChI=1S/C18H23NO3/c1-19-9-8-18-11-4-3-5-13(18)22-17-12(21-2)7-6-10(14(17)18)16(20)15(11)19/h6-7,11,13,15-16,20H,3-5,8-9H2,1-2H3/t11-,13-,15-,16-,18+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.71 | Datawarrior | 1 » 0 |