Molecule

ID:97422

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₇
Molecular Mass
260.1514024
Exact Mass
260.04359776
Charge
0
InChI
InChI=1S/C10H7F7/c1-6-2-4-7(5-3-6)8(11,9(12,13)14)10(15,16)17/h2-5H,1H3
InChIKey
XEFRSBQTXVJYKZ-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)C
Isomeric Smiles
FC(c1ccc(cc1)C)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5041375
LogD (pH = 7.4)
4.5041375
Log P
4.5041375
Molar Refractivity
46.683
Polarizability
16.625296
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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