Molecule ID: mol14398
SMILES: CCOc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1OC
InChI: InChI=1S/C24H30N2O3/c1-3-29-22-11-7-10-21(23(22)28-2)24(27)25-18-14-19-12-13-20(15-18)26(19)16-17-8-5-4-6-9-17/h4-11,18-20H,3,12-16H2,1-2H3,(H,25,27)/t18-,19-,20+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.78 | QSARToolbox | 1 » 0 |
| 8.78 | Datawarrior | 1 » 0 |