Molecule

ID:11835

General Information
Structure
MolImage
Molecular Formula
C₄H₄BrClF₄
Molecular Mass
243.4251728
Exact Mass
241.91210269
Charge
0
InChI
InChI=1S/C4H4BrClF4/c5-4(9,10)3(7,8)1-2-6/h1-2H2
InChIKey
JICUEVPCQDXKAB-UHFFFAOYSA-N
Canonic Smiles
ClCCC(C(Br)(F)F)(F)F
Isomeric Smiles
C(C(CCCl)(F)F)(Br)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1191163
LogD (pH = 7.4)
3.1191163
Log P
3.1191163
Molar Refractivity
33.5255
Polarizability
12.927866
Polar Surface Area
0.0
Rotatable Bonds
3
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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