Molecule ID: mol37818
SMILES: CCSc1cc(OC)c(OC)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1
InChI: InChI=1S/C25H32N2O3S/c1-4-31-21-14-22(24(30-3)23(15-21)29-2)25(28)26-18-12-19-10-11-20(13-18)27(19)16-17-8-6-5-7-9-17/h5-9,14-15,18-20H,4,10-13,16H2,1-3H3,(H,26,28)/t18-,19-,20+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.90 | QSARToolbox | 1 » 0 |