Molecule ID: mol34646
SMILES: c1ccc(Cn2nc3cc2CNCCOCCNCc2cc(n(Cc4ccccc4)n2)CNCCOCCNC3)cc1
InChI: InChI=1S/C32H44N8O2/c1-3-7-27(8-4-1)25-39-31-19-29(37-39)21-33-11-15-42-18-14-36-24-32-20-30(22-34-12-16-41-17-13-35-23-31)38-40(32)26-28-9-5-2-6-10-28/h1-10,19-20,33-36H,11-18,21-26H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.74 | QSARToolbox | 2 » 1 |