Molecule

ID:8064

General Information
Structure
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Molecular Formula
C₈H₆F₄
Molecular Mass
178.1268528
Exact Mass
178.04056307
Charge
0
InChI
InChI=1S/C8H6F4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3
InChIKey
IWKPBYPUIPVYNZ-UHFFFAOYSA-N
Canonic Smiles
Cc1c(F)c(F)c(c(c1F)F)C
Isomeric Smiles
c1(c(c(c(c(c1F)F)C)F)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5708964
LogD (pH = 7.4)
3.5708964
Log P
3.5708964
Molar Refractivity
37.006
Polarizability
12.961058
Polar Surface Area
0.0
Rotatable Bonds
0
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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