Molecule

ID:95609

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈F₆
Molecular Mass
254.1716392
Exact Mass
254.05301958
Charge
0
InChI
InChI=1S/C11H8F6/c1-6(2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h3-5H,1H2,2H3
InChIKey
GQZHGPTXTONDEY-UHFFFAOYSA-N
Canonic Smiles
CC(=C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(c1cc(cc(c1)C(F)(F)F)C(=C)C)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7650394
LogD (pH = 7.4)
4.7650394
Log P
4.7650394
Molar Refractivity
51.9737
Polarizability
18.211086
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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