Molecule ID: mol20428
SMILES: COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1
InChI: InChI=1S/C34H32Cl2N4O2/c1-41-23-9-13-29-27(19-23)33(25-11-7-21(35)17-31(25)39-29)37-15-5-3-4-6-16-38-34-26-12-8-22(36)18-32(26)40-30-14-10-24(42-2)20-28(30)34/h7-14,17-20H,3-6,15-16H2,1-2H3,(H,37,39)(H,38,40)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.23 | Baltruschat ChEMBL | 1 » 0 |