Molecule
ID:97150
General Information
Molecular Formula
C₄H₃BrClF₃
Molecular Mass
223.4188296
Exact Mass
221.90587444
Charge
0
InChI
InChI=1S/C4H3BrClF3/c5-2-1-3(6)4(7,8)9/h1H,2H2
InChIKey
DXCNMVPRQXEUKO-UHFFFAOYSA-N
Canonic Smiles
BrC/C=C(/C(F)(F)F)\Cl
Isomeric Smiles
Cl/C(=C\CBr)/C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.740585
LogD (pH = 7.4)
2.740585
Log P
2.740585
Molar Refractivity
34.7807
Polarizability
12.580606
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
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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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