Molecule ID: mol2892
SMILES: Cc1[nH]c2ccccc2c1CCN1CCc2cc(CCC(=O)N=O)ccc2C1
InChI: InChI=1S/C23H25N3O2/c1-16-20(21-4-2-3-5-22(21)24-16)11-13-26-12-10-18-14-17(6-8-19(18)15-26)7-9-23(27)25-28/h2-6,8,14,24H,7,9-13,15H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.96 | Novartis | 1 » 0 |