Molecule ID: mol16370
SMILES: O=c1[nH]c(-c2cccc(=O)n2C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)no1
InChI: InChI=1S/C19H18ClFN4O4/c20-13-5-4-11(8-14(13)21)17-12(9-22-6-7-28-17)10-25-15(2-1-3-16(25)26)18-23-19(27)29-24-18/h1-5,8,12,17,22H,6-7,9-10H2,(H,23,24,27)/t12-,17-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.35 | OCHEM | 1 » 0 |
| 6.35 | Baltruschat ChEMBL | 1 » 0 |