Molecule

ID:100085

General Information
Structure
MolImage
Molecular Formula
C₇H₄Br₂F₂
Molecular Mass
285.9114664
Exact Mass
283.86478057
Charge
0
InChI
InChI=1S/C7H4Br2F2/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2
InChIKey
VSKMLLGUWKLTQV-UHFFFAOYSA-N
Canonic Smiles
BrCc1c(F)cc(cc1F)Br
Isomeric Smiles
BrCc1c(cc(cc1F)Br)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8001397
LogD (pH = 7.4)
3.8001397
Log P
3.8001397
Molar Refractivity
46.964
Polarizability
17.754679
Polar Surface Area
0.0
Rotatable Bonds
1
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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