Molecule

ID:6470

General Information
Structure
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Molecular Formula
C₄H₄BrF₃
Molecular Mass
188.9737696
Exact Mass
187.94484679
Charge
0
InChI
InChI=1S/C4H4BrF3/c5-2-1-3(6)4(7)8/h1-2H2
InChIKey
GQCQMFYIFUDARF-UHFFFAOYSA-N
Canonic Smiles
BrCCC(=C(F)F)F
Isomeric Smiles
C(Br)CC(=C(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.7672899
LogD (pH = 7.4)
1.7672899
Log P
1.7672899
Molar Refractivity
39.5813
Polarizability
10.592774
Polar Surface Area
0.0
Rotatable Bonds
2
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
No Data Available
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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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