Molecule ID: mol38467
SMILES: CCCCOc1c2cc(N)cc1Cc1cc(N)cc(c1OCCCC)Cc1cc(N)cc(c1OCCCC)Cc1cc(N)cc(c1OCCCC)C2
InChI: InChI=1S/C44H60N4O4/c1-5-9-13-49-41-29-17-31-23-38(46)25-33(42(31)50-14-10-6-2)19-35-27-40(48)28-36(44(35)52-16-12-8-4)20-34-26-39(47)24-32(43(34)51-15-11-7-3)18-30(41)22-37(45)21-29/h21-28H,5-20,45-48H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | QSARToolbox | 1 » 0 |