Molecule

ID:7005

General Information
Structure
MolImage
Molecular Formula
C₄HClF₆
Molecular Mass
198.4941592
Exact Mass
197.96709703
Charge
0
InChI
InChI=1S/C4HClF6/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1-
InChIKey
JRENXZBKMHPULY-UPHRSURJSA-N
Canonic Smiles
Cl/C(=C\C(F)(F)F)/C(F)(F)F
Isomeric Smiles
C(/C=C(/C(F)(F)F)\Cl)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8456962
LogD (pH = 7.4)
2.8456962
Log P
2.8456962
Molar Refractivity
27.904
Polarizability
9.632386
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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