Molecule ID: mol38470
SMILES: CC1(C)CC(C(=O)Nc2ccc3cc4ccc(NC(=O)C5CC(C)(C)N([O])C5(C)C)cc4nc3c2)C(C)(C)N1[O]
InChI: InChI=1S/C31H39N5O4/c1-28(2)16-22(30(5,6)35(28)39)26(37)32-20-11-9-18-13-19-10-12-21(15-25(19)34-24(18)14-20)33-27(38)23-17-29(3,4)36(40)31(23,7)8/h9-15,22-23H,16-17H2,1-8H3,(H,32,37)(H,33,38)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.88 | QSARToolbox | 3 » 2 |