Molecule ID: mol20260
SMILES: C[n+]1c2ccccc2c(Nc2ccc(N3CCCCC3)cc2)c2[nH]c3ccccc3c21
InChI: InChI=1S/C27H26N4/c1-30-24-12-6-4-10-22(24)25(26-27(30)21-9-3-5-11-23(21)29-26)28-19-13-15-20(16-14-19)31-17-7-2-8-18-31/h3-6,9-16H,2,7-8,17-18H2,1H3,(H,28,29)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.00 | Baltruschat ChEMBL | 1 » 0 |