Molecule

ID:97629

General Information
Structure
Molecular Formula
C₈H₅F₃
Molecular Mass
158.1205096
Exact Mass
158.03433482
Charge
0
InChI
InChI=1S/C8H5F3/c1-2-5-3-6(9)8(11)7(10)4-5/h2-4H,1H2
InChIKey
SBZYGHMGBOZTOU-UHFFFAOYSA-N
Canonic Smiles
C=Cc1cc(F)c(c(c1)F)F
Isomeric Smiles
Fc1c(c(cc(c1)C=C)F)F
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
12.99482
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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