Molecule ID: mol37832
SMILES: CC1CCC(N)(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)C1
InChI: InChI=1S/C15H23N3O4S/c1-7-4-5-15(16,6-7)13(22)17-8-10(19)18-9(12(20)21)14(2,3)23-11(8)18/h7-9,11H,4-6,16H2,1-3H3,(H,17,22)(H,20,21)/t7?,8-,9+,11-,15?/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.65 | QSARToolbox | 0 » -1 |