quinoline | SBID = 1890 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C9H7N | ||
| M / g/mol: | 129.15858 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic
- Name: quinoline
- Preferred Abbreviation: quinoline
- IUPAC Name:
- CAS: 91-22-5
- CID: -802
- InChiKey: SMWDFEZZVXVKRB-UHFFFAOYSA-N
- InChi: InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
- CanoSmiles: c1ccc2c(c1)nccc2
- IsoSmiles: C12=CC=CC=C1C=CC=N2
