Molecule ID: mol20237
SMILES: CC(C)(N)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O
InChI: InChI=1S/C28H29N7O2/c1-28(2,29)27(37)30-23-16-15-20-7-3-6-10-24(20)35(26(23)36)17-18-11-13-19(14-12-18)21-8-4-5-9-22(21)25-31-33-34-32-25/h3-14,23H,15-17,29H2,1-2H3,(H,30,37)(H,31,32,33,34)/t23-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | Baltruschat ChEMBL | 0 » -1 |