Deiquat
PubChem CID: 24186388
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| Compound Synonyms | Diquat bromide, Diquat (bromide), Aquacide, Deiquat, Preeglone, Reglone, Reglon, Reglox, Weedtrine-D, 1,2'-bipyridinium dibromide, 1,2'-bipyridylium dibromide, 1,2'-dipyridylium dibromide, FB 2, 2',1'-c]pyrazinedium dibromide, 2,1c]pyrazinium dibromide, 5,2a, 6,2-a, 9,10a-diazoniaphenanthrene dibromide, Ethylene dipyridylium dibromide, 9,10a,-diazoniaphenanthrene dibromide, 6,2-a:2',1',-c]pyrazinediium dibromide, NSC-116553, WLN: T B666 GK JK&T&J &Q 2 &E 2, Dipyrido[1,1'-c]pyrazinediium, 6,7-dihydro-, dibromide, 9,10a-diazoniaphenanthrene(1,1'-ethylene-2,2'-bipyridylium) dibromide, NSC49537, NSC-49537, NSC116553, AKOS040755881 |
|---|---|
| Topological Polar Surface Area | 7.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 182.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene, bromide |
| Prediction Hob | 1.0 |
| Molecular Formula | C12H12BrN2+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | JXEXEPZXXFNEHA-UHFFFAOYSA-M |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.146 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.702 |
| Compound Name | Deiquat |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 263.018 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 263.018 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 264.14 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5502052 |
| Inchi | InChI=1S/C12H12N2.BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1, /h1-8H,9-10H2, 1H/q+2, /p-1 |
| Smiles | C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-] |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Larrea Tridentata (Plant) Rel Props:Source_db:cmaup_ingredients