Molecule

ID:11837

General Information
Structure
MolImage
Molecular Formula
C₄H₂BrClF₆
Molecular Mass
279.4060992
Exact Mass
277.89325906
Charge
0
InChI
InChI=1S/C4H2BrClF6/c5-2(1-6,3(7,8)9)4(10,11)12/h1H2
InChIKey
FMJPNRYIQHVCBK-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(F)(F)F)(C(F)(F)F)Br
Isomeric Smiles
C(C(C(F)(F)F)(Br)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5797281
LogD (pH = 7.4)
3.5797281
Log P
3.5797281
Molar Refractivity
34.0991
Polarizability
13.140286
Polar Surface Area
0.0
Rotatable Bonds
3
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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