Molecule ID: mol37240
SMILES: CC/C=C/CC1=NC(C(=O)O)C2SC(C)(C)[C@H](C(=O)O)N12
InChI: InChI=1S/C14H20N2O4S/c1-4-5-6-7-8-15-9(12(17)18)11-16(8)10(13(19)20)14(2,3)21-11/h5-6,9-11H,4,7H2,1-3H3,(H,17,18)(H,19,20)/b6-5+/t9?,10-,11?/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | QSARToolbox | 0 » -1 |