paraquat | SBID = 2120 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 31 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 7.76 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | -5.82 | ||
| Charge: | 2.0 | ||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C12H14N2++ | ||
| M / g/mol: | 186.25 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: paraquat
- Preferred Abbreviation: paraquat ion
- IUPAC Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
- CAS: 4685-14-7
- CID: -933
- InChiKey: INFDPOAKFNIJBF-UHFFFAOYSA-N
- InChi: InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
- CanoSmiles: C[n+]1ccc(cc1)c1cc[n+](cc1)C
- IsoSmiles: C[N+]1=CC=C(C2=CC=[N+](C)C=C2)C=C1
