Molecule

ID:32930

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₄
Molecular Mass
164.1002728
Exact Mass
164.02491301
Charge
0
InChI
InChI=1S/C7H4F4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H
InChIKey
AGQSCHMIJQCTJU-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)C(F)F
Isomeric Smiles
c1(c(cc(cc1)F)F)C(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6477377
LogD (pH = 7.4)
2.6477377
Log P
2.6477377
Molar Refractivity
31.5748
Polarizability
11.37158
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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