Molecule
ID:98547
General Information
Molecular Formula
C₄H₃ClF₄
Molecular Mass
162.5132328
Exact Mass
161.98594066
Charge
0
InChI
InChI=1S/C4H3ClF4/c1-2(6)3(5)4(7,8)9/h1H3
InChIKey
RDZGKBDJFRDSAK-UHFFFAOYSA-N
Canonic Smiles
C/C(=C(\C(F)(F)F)/Cl)/F
Isomeric Smiles
FC(/C(=C(/F)\C)/Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0228283
LogD (pH = 7.4)
2.0228283
Log P
2.0228283
Molar Refractivity
27.3303
Polarizability
9.430778
Polar Surface Area
0.0
Rotatable Bonds
1
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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