Molecule ID: mol35655
SMILES: CCN(CC)c1ccc2nc3c(cc(N)c4cc(C(=O)c5ccc6ccccc6c5)ccc43)[o+]c2c1
InChI: InChI=1S/C31H25N3O2/c1-3-34(4-2)23-12-14-27-28(17-23)36-29-18-26(32)25-16-22(11-13-24(25)30(29)33-27)31(35)21-10-9-19-7-5-6-8-20(19)15-21/h5-18H,3-4H2,1-2H3,(H-,32,35)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | QSARToolbox | 2 » 1 |