Molecule

ID:94351

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₉
Molecular Mass
272.1109288
Exact Mass
272.02475414
Charge
0
InChI
InChI=1S/C8H5F9/c1-2-3-4-5(6(9,10)11,7(12,13)14)8(15,16)17/h2-4H,1H2
InChIKey
NRFBLIGDSNBZBX-UHFFFAOYSA-N
Canonic Smiles
C=C/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(C(/C=C/C=C)(C(F)(F)F)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1455755
LogD (pH = 7.4)
4.1455755
Log P
4.1455755
Molar Refractivity
42.3901
Polarizability
14.332576
Polar Surface Area
0.0
Rotatable Bonds
5
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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