Structure Info
- Chemspace ID
- CSMB00000760865 (Enamine MADE)
- CAS
- 1181458-37-6
- MFCD
- MFCD11858137
- IUPAC Name
- 3-hydroxy-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid
- Mol formula
- C11H7F3N2O3
- Mol weight
- 272 Da
- Catalog Number(s)
- BBV-41714238, BD01079521, CSC000760865, EN300-87098
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.54
- Heavy atoms count
- 19
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.09
- Polar surface area (Å)
- 75
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00000760865
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