1,4-Benzodiazine | SBID = 1879 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| 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: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C8H6N2 | ||
| M / g/mol: | 130.14664 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: 1,4-Benzodiazine
- Preferred Abbreviation: quinoxaline
- IUPAC Name:
- CAS: 91-19-0
- CID: -791
- InChiKey: XSCHRSMBECNVNS-UHFFFAOYSA-N
- InChi: InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
- CanoSmiles: c1ccc2c(c1)nccn2
- IsoSmiles: C12=CC=CC=C1N=CC=N2
