Molecule

ID:98896

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₃
Molecular Mass
158.1205096
Exact Mass
158.03433482
Charge
0
InChI
InChI=1S/C8H5F3/c1-2-5-3-7(10)8(11)4-6(5)9/h2-4H,1H2
InChIKey
QZUSPILXNMOCLU-UHFFFAOYSA-N
Canonic Smiles
C=Cc1cc(F)c(cc1F)F
Isomeric Smiles
Fc1c(cc(c(c1)F)F)C=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1380537
LogD (pH = 7.4)
3.1380537
Log P
3.1380537
Molar Refractivity
36.3935
Polarizability
12.998823
Polar Surface Area
0.0
Rotatable Bonds
1
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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