Molecule

ID:94790

General Information
Structure
MolImage
Molecular Formula
C₉H₇BrF₂
Molecular Mass
233.0526864
Exact Mass
231.96991866
Charge
0
InChI
InChI=1S/C9H7BrF2/c1-6(10)4-7-2-3-8(11)9(12)5-7/h2-3,5H,1,4H2
InChIKey
YDIPQOVQZQTBRC-UHFFFAOYSA-N
Canonic Smiles
BrC(=C)Cc1ccc(c(c1)F)F
Isomeric Smiles
Fc1cc(ccc1F)CC(=C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.602784
LogD (pH = 7.4)
3.602784
Log P
3.602784
Molar Refractivity
48.4663
Polarizability
17.860216
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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