Molecule

ID:7066

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrClF₂
Molecular Mass
241.4604664
Exact Mass
239.91529625
Charge
0
InChI
InChI=1S/C7H4BrClF2/c8-3-4-6(10)2-1-5(9)7(4)11/h1-2H,3H2
InChIKey
SNOJSRMVFAKBEG-UHFFFAOYSA-N
Canonic Smiles
BrCc1c(F)ccc(c1F)Cl
Isomeric Smiles
c1cc(c(c(c1F)CBr)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6354318
LogD (pH = 7.4)
3.6354318
Log P
3.6354318
Molar Refractivity
44.146
Polarizability
16.577282
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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