Molecule

ID:11832

General Information
Structure
MolImage
Molecular Formula
C₄BrClF₆
Molecular Mass
277.3902192
Exact Mass
275.877609
Charge
0
InChI
InChI=1S/C4BrClF6/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+
InChIKey
HQDIBYVKNAQTGX-OWOJBTEDSA-N
Canonic Smiles
Cl/C(=C(\C(F)(F)F)/Br)/C(F)(F)F
Isomeric Smiles
C(/C(=C(/C(F)(F)F)\Cl)/Br)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2471673
LogD (pH = 7.4)
3.2471673
Log P
3.2471673
Molar Refractivity
35.4382
Polarizability
12.910268
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
No Data Available
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Molecule Details
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References
Bioactivity
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