Molecule ID: mol16078
SMILES: CN(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(-c3noc(=O)[nH]3)cc21
InChI: InChI=1S/C26H28N4O3/c1-29(2)22(31)16-30-21-15-19(25-27-26(32)33-28-25)13-14-20(21)23(17-9-5-3-6-10-17)24(30)18-11-7-4-8-12-18/h4,7-8,11-15,17H,3,5-6,9-10,16H2,1-2H3,(H,27,28,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | Baltruschat ChEMBL | 0 » -1 |