Molecule ID: mol581
SMILES: COC(=O)c1nc2c(N[C@H](C)CO)nc(SCc3cccc(F)c3F)nc2[nH]c1=O
InChI: InChI=1S/C18H17F2N5O4S/c1-8(6-26)21-14-12-15(23-16(27)13(22-12)17(28)29-2)25-18(24-14)30-7-9-4-3-5-10(19)11(9)20/h3-5,8,26H,6-7H2,1-2H3,(H2,21,23,24,25,27)/t8-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.60 | Hunt | 0 » -1 |
| 6.60 | Baltruschat ChEMBL | 0 » -1 |