Molecule

ID:98027

General Information
Structure
MolImage
Molecular Formula
C₇H₂F₆
Molecular Mass
200.0811992
Exact Mass
200.00606938
Charge
0
InChI
InChI=1S/C7H2F6/c8-4-2-6(10)5(9)1-3(4)7(11,12)13/h1-2H
InChIKey
NNHFUVFJLYJMFV-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(c(cc1F)F)C(F)(F)F
Isomeric Smiles
FC(c1c(cc(c(c1)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
11.411173
Polar Surface Area
0.0
Rotatable Bonds
1
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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