Molecule ID: mol16369
SMILES: O=c1[nH]c(-c2ccc(=O)n(C[C@@H]3CNCCO[C@H]3c3ccc(Cl)c(F)c3)c2)no1
InChI: InChI=1S/C19H18ClFN4O4/c20-14-3-1-11(7-15(14)21)17-13(8-22-5-6-28-17)10-25-9-12(2-4-16(25)26)18-23-19(27)29-24-18/h1-4,7,9,13,17,22H,5-6,8,10H2,(H,23,24,27)/t13-,17-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.72 | OCHEM | 1 » 0 |
| 5.72 | Baltruschat ChEMBL | 1 » 0 |