Molecule

ID:52972

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₃
Molecular Mass
158.1205096
Exact Mass
158.03433482
Charge
0
InChI
InChI=1S/C8H5F3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H
InChIKey
SUTQSIHGGHVXFK-UHFFFAOYSA-N
Canonic Smiles
FC(=C(F)F)c1ccccc1
Isomeric Smiles
c1cccc(c1)C(=C(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.581818
LogD (pH = 7.4)
2.581818
Log P
2.581818
Molar Refractivity
47.0017
Polarizability
13.094584
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
References
Bioactivity
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