Molecule ID: mol14423
SMILES: COc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1OC
InChI: InChI=1S/C23H27N3O5/c1-30-21-13-19(26(28)29)12-20(22(21)31-2)23(27)24-16-10-17-8-9-18(11-16)25(17)14-15-6-4-3-5-7-15/h3-7,12-13,16-18H,8-11,14H2,1-2H3,(H,24,27)/t16-,17-,18+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.70 | QSARToolbox | 1 » 0 |
| 8.70 | Datawarrior | 1 » 0 |