Molecule

ID:7102

General Information
Structure
Molecular Formula
C₈H₅BrF₄
Molecular Mass
257.0229128
Exact Mass
255.95107504
Charge
0
InChI
InChI=1S/C8H5BrF4/c9-4-5-2-1-3-6(10)7(5)8(11,12)13/h1-3H,4H2
InChIKey
HTWOLWSZQAPKQA-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1C(F)(F)F)F
Isomeric Smiles
c1cc(c(c(c1)CBr)C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7665336
LogD (pH = 7.4)
3.7665336
Log P
3.7665336
Molar Refractivity
45.0985
Polarizability
16.293882
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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