Molecule ID: mol2633
SMILES: COC(=O)c1cnc(N2CC[C@@H](NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@@H](OC)C2)s1
InChI: InChI=1S/C17H20Cl2N4O4S/c1-8-12(18)13(19)14(21-8)15(24)22-9-4-5-23(7-10(9)26-2)17-20-6-11(28-17)16(25)27-3/h6,9-10,21H,4-5,7H2,1-3H3,(H,22,24)/t9-,10+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | Manchester | 2 » 1 |