Molecule ID: mol19141
SMILES: [11CH3]NC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)/i1-1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.96 | Baltruschat ChEMBL | 1 » 0 |