Molecule ID: mol2796
SMILES: CC(C)N(CCc1c(-c2ccccc2)nn2ccccc12)Cc1ccc(CCC(=O)N=O)cc1
InChI: InChI=1S/C28H30N4O2/c1-21(2)31(20-23-13-11-22(12-14-23)15-16-27(33)30-34)19-17-25-26-10-6-7-18-32(26)29-28(25)24-8-4-3-5-9-24/h3-14,18,21H,15-17,19-20H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.70 | Novartis | 1 » 0 |