Molecule ID: mol35098
SMILES: CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)[C@@H]1F)C(=O)c1ccccc1C3=O
InChI: InChI=1S/C26H26FNO9/c1-9-19(30)14(28)7-15(36-9)37-24-16-13(8-26(35,10(2)29)25(24)27)22(33)17-18(23(16)34)21(32)12-6-4-3-5-11(12)20(17)31/h3-6,9,14-15,19,24-25,30,33-35H,7-8,28H2,1-2H3/t9-,14-,15-,19+,24+,25-,26+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | QSARToolbox | 1 » 0 |