Molecule ID: mol2642
SMILES: CCOC(=O)c1cc(N2CC[C@@H](NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@@H](F)C2)ccn1
InChI: InChI=1S/C19H21Cl2FN4O3/c1-3-29-19(28)14-8-11(4-6-23-14)26-7-5-13(12(22)9-26)25-18(27)17-16(21)15(20)10(2)24-17/h4,6,8,12-13,24H,3,5,7,9H2,1-2H3,(H,25,27)/t12-,13+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | Manchester | 1 » 0 |