(cobaltocene)+ | SBID = 2453 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 0.0 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 3.71 | ||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C10H10Co+ | ||
| M / g/mol: | 189.1196 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: (cobaltocene)+
- Preferred Abbreviation: (cobaltocene)+
- IUPAC Name:
- CAS:
- CID: -1049
- InChiKey: HKKCIZITHZETPE-UHFFFAOYSA-N
- InChi: InChI=1S/2C5H5.Co/c2*1-2-4-5-3-1;/h2*1-5H;/q;;+1
- CanoSmiles: [CH]1C=CC=C1.[CH]1C=CC=C1.[Co+]
- IsoSmiles: [Co+].c1cccc1.c2cccc2
