Molecule

ID:44852

General Information
Structure
Molecular Formula
C₆H₆F₄
Molecular Mass
154.1054528
Exact Mass
154.04056307
Charge
0
InChI
InChI=1S/C6H6F4/c1-3-5(7,8)6(9,10)4-2/h3-4H,1-2H2
InChIKey
AKAQZCPDRXZZJS-UHFFFAOYSA-N
Canonic Smiles
C=CC(C(C=C)(F)F)(F)F
Isomeric Smiles
C=CC(C(C=C)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.03531
LogD (pH = 7.4)
3.03531
Log P
3.03531
Molar Refractivity
29.6304
Polarizability
10.605115
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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