Molecule ID: mol155
SMILES: Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1
InChI: InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | Baltruschat ChEMBL | 1 » 0 |
| 9.51 | OCHEM | 1 » 0 |
| 9.51 | OCHEM | 1 » 0 |
| 9.51 | Baltruschat ChEMBL | 1 » 0 |
| 9.51 | Baltruschat ChEMBL | 1 » 0 |
| 9.51 | Settimo | 1 » 0 |
| 9.51 | Settimo | 1 » 0 |
| 10.10 | Baltruschat ChEMBL | 1 » 0 |
| 10.10 | Baltruschat ChEMBL | 1 » 0 |
| 10.34 | Baltruschat ChEMBL | 1 » 0 |
| 11.20 | Baltruschat ChEMBL | 1 » 0 |