Molecule
ID:12144
General Information
Molecular Formula
C₄H₄Br₃F₃
Molecular Mass
348.7817696
Exact Mass
345.78152079
Charge
0
InChI
InChI=1S/C4H4Br3F3/c5-2-1-3(6,8)4(7,9)10/h1-2H2
InChIKey
YRQSISPSGIETOP-UHFFFAOYSA-N
Canonic Smiles
BrCCC(C(Br)(F)F)(Br)F
Isomeric Smiles
C(C(CCBr)(F)Br)(Br)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3546543
LogD (pH = 7.4)
3.3546543
Log P
3.3546543
Molar Refractivity
44.2441
Polarizability
17.36015
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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