Molecule ID: mol35680
SMILES: Cc1ccc(S(=O)(=O)NNP(=O)(Oc2ccc(Br)cc2)N(CCCl)CCCl)cc1
InChI: InChI=1S/C17H21BrCl2N3O4PS/c1-14-2-8-17(9-3-14)29(25,26)22-21-28(24,23(12-10-19)13-11-20)27-16-6-4-15(18)5-7-16/h2-9,22H,10-13H2,1H3,(H,21,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.97 | QSARToolbox | 1 » 0 |