Molecule ID: mol26761
SMILES: c1ccc2c(NCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1
InChI: InChI=1S/C28H22N4/c1-5-13-23-19(9-1)27(20-10-2-6-14-24(20)31-23)29-17-18-30-28-21-11-3-7-15-25(21)32-26-16-8-4-12-22(26)28/h1-16H,17-18H2,(H,29,31)(H,30,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | AttenGpKa training set | 1 » 0 |