Molecule

ID:61810

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrClF₂
Molecular Mass
241.4604664
Exact Mass
239.91529625
Charge
0
InChI
InChI=1S/C7H4BrClF2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7H
InChIKey
XMJIWSRAQNODED-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Br)cc(c1)C(F)F
Isomeric Smiles
c1(cc(cc(c1)C(F)F)Cl)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.735131
LogD (pH = 7.4)
3.735131
Log P
3.735131
Molar Refractivity
43.5696
Polarizability
16.687574
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
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Molecule Details
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References
Bioactivity
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