Molecule ID: mol16289
SMILES: COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.05 | QSARToolbox | 1 » 0 |
| 7.17 | OCHEM | 1 » 0 |
| 7.17 | OCHEM | 1 » 0 |
| 7.17 | Baltruschat ChEMBL | 1 » 0 |
| 7.20 | Baltruschat ChEMBL | 1 » 0 |
| 7.28 | QSARToolbox | 1 » 0 |
| 7.60 | Baltruschat ChEMBL | 1 » 0 |
| 7.60 | Baltruschat ChEMBL | 1 » 0 |
| 8.60 | OCHEM | 1 » 0 |