Molecule

ID:8186

General Information
Structure
MolImage
Molecular Formula
C₇H₂F₆
Molecular Mass
200.0811992
Exact Mass
200.00606938
Charge
0
InChI
InChI=1S/C7H2F6/c8-3-1-4(9)6(5(10)2-3)7(11,12)13/h1-2H
InChIKey
SGPXFVDJRSZIPK-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)F)C(F)(F)F
Isomeric Smiles
c1c(cc(c(c1F)C(F)(F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2792
LogD (pH = 7.4)
3.2792
Log P
3.2792
Molar Refractivity
32.6809
Polarizability
11.412196
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
No Data Available
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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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