Diquat | SBID = 414 | Compound |
Structure
Molecular Properties
| Interactions: | 10 | ||
| PubChem TPSA/Å2: | 7.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 2.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 147.0 | ||
| Sum Formula: | C12H12N2+2 | ||
| M / g/mol: | 184.242 | ||
| Complexity: | 183.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: herbicide, diquat, cation, typical guest, charged
- Name: Diquat
- Preferred Abbreviation: Diquat
- IUPAC Name: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
- CAS: 2764-72-9
- CID: 6795
- InChiKey: SYJFEGQWDCRVNX-UHFFFAOYSA-N
- InChi: InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2
- CanoSmiles: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31
- IsoSmiles: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31
