Structure Info
- Chemspace ID
- CSSS00000733112 (In-Stock Screening Compounds)
- CAS
- 1712902-48-1, 1912988-09-0
- MFCD
- MFCD28714753
- IUPAC Name
- 6-bromo-4-cyclopentyl-7-fluoro-1,2,3,4-tetrahydroquinoxalin-2-one
- Mol formula
- C13H14BrFN2O
- Mol weight
- 313 Da
- Catalog Number(s)
- A1070746, AR01BCYS, AW08536, ArZ-UP196319, ArZ-UP208448, BB4LS-EN300-217207, BBV-45765230, BD01027396, CSC000733112, EN300-217207, MTC90248, Y3119322, Z1723692637, ZX-NM181130, ZX-NM239594, ZXC287755
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.29
- Heavy atoms count
- 18
- Rotatable bond count
- 1
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.461
- Polar surface area (Å)
- 32
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00000733112
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