Chlorzoxazone | SBID = 2695 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 38.3 | ||
| Ertl TPSA/Å2: | 46.0 | ||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| Hydrophilicity (Cheng XLogP3): | 2.92 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 118.7 | ||
| Sum Formula: | C7H4ClNO2 | ||
| M / g/mol: | 169.56 | ||
| Complexity: | 185.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: Chlorzoxazone
- Preferred Abbreviation: CHZ
- IUPAC Name: 5-chloro-3H-1,3-benzoxazol-2-one
- CAS:
- CID: 2733
- InChiKey: TZFWDZFKRBELIQ-UHFFFAOYSA-N
- InChi: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
- CanoSmiles: C1=CC2=C(C=C1Cl)NC(=O)O2
- IsoSmiles: C1=CC2=C(C=C1Cl)NC(=O)O2
