Molecule

ID:7006

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClF₆
Molecular Mass
200.5100392
Exact Mass
199.9827471
Charge
0
InChI
InChI=1S/C4H3ClF6/c5-2(4(9,10)11)1-3(6,7)8/h2H,1H2
InChIKey
PREWBNUKNNTMHC-UHFFFAOYSA-N
Canonic Smiles
ClC(C(F)(F)F)CC(F)(F)F
Isomeric Smiles
C(CC(C(F)(F)F)Cl)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8815897
LogD (pH = 7.4)
2.8815897
Log P
2.8815897
Molar Refractivity
26.3345
Polarizability
9.873563
Polar Surface Area
0.0
Rotatable Bonds
3
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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