Molecule

ID:100348

General Information
Structure
MolImage
Molecular Formula
C₄H₅BrF₄
Molecular Mass
208.9801128
Exact Mass
207.95107504
Charge
0
InChI
InChI=1S/C4H5BrF4/c1-2-3(6,7)4(5,8)9/h2H2,1H3
InChIKey
CKZRVAPVPPFLQX-UHFFFAOYSA-N
Canonic Smiles
CCC(C(Br)(F)F)(F)F
Isomeric Smiles
BrC(C(CC)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.834952
LogD (pH = 7.4)
2.834952
Log P
2.834952
Molar Refractivity
29.1134
Polarizability
10.950695
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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