Molecule

ID:98527

General Information
Structure
MolImage
Molecular Formula
C₆H₉BrF₄
Molecular Mass
237.0332728
Exact Mass
235.98237517
Charge
0
InChI
InChI=1S/C6H9BrF4/c1-2-5(8,9)6(10,11)3-4-7/h2-4H2,1H3
InChIKey
AATMTMCNADRZED-UHFFFAOYSA-N
Canonic Smiles
BrCCC(C(CC)(F)F)(F)F
Isomeric Smiles
BrCCC(C(CC)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3437276
LogD (pH = 7.4)
3.3437276
Log P
3.3437276
Molar Refractivity
37.4666
Polarizability
14.299086
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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