Molecule
ID:94847
General Information
Molecular Formula
C₄H₆BrF₃
Molecular Mass
190.9896496
Exact Mass
189.96049685
Charge
0
InChI
InChI=1S/C4H6BrF3/c5-1-4(8,2-6)3-7/h1-3H2
InChIKey
UQYDVXXGNHWODN-UHFFFAOYSA-N
Canonic Smiles
FCC(CBr)(CF)F
Isomeric Smiles
FCC(F)(CF)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.6080151
LogD (pH = 7.4)
1.6080151
Log P
1.6080151
Molar Refractivity
27.6562
Polarizability
10.824707
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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