Molecule ID: mol14402
SMILES: COc1cc(N)cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1OC
InChI: InChI=1S/C23H29N3O3/c1-28-21-11-16(24)10-20(22(21)29-2)23(27)25-17-12-18-8-9-19(13-17)26(18)14-15-6-4-3-5-7-15/h3-7,10-11,17-19H,8-9,12-14,24H2,1-2H3,(H,25,27)/t17-,18-,19+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.07 | QSARToolbox | 1 » 0 |
| 9.07 | Datawarrior | 1 » 0 |