Molecule

ID:94287

General Information
Structure
MolImage
Molecular Formula
C₈H₉BrF₄
Molecular Mass
261.0546728
Exact Mass
259.98237517
Charge
0
InChI
InChI=1S/C8H9BrF4/c9-8(12,13)7(10,11)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKey
OTCANQYNSAXXIE-UHFFFAOYSA-N
Canonic Smiles
FC(C(C1=CCCCC1)(F)F)(Br)F
Isomeric Smiles
FC(C1=CCCCC1)(C(Br)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.970981
LogD (pH = 7.4)
3.970981
Log P
3.970981
Molar Refractivity
46.2484
Polarizability
16.887676
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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