Molecule ID: mol32805
SMILES: COc1cc(C#N)cc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)c1OC
InChI: InChI=1S/C24H27N3O3/c1-29-22-11-17(14-25)10-21(23(22)30-2)24(28)26-18-12-19-8-9-20(13-18)27(19)15-16-6-4-3-5-7-16/h3-7,10-11,18-20H,8-9,12-13,15H2,1-2H3,(H,26,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.70 | OCHEM | 1 » 0 |