Molecule

ID:54683

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₅
Molecular Mass
182.090736
Exact Mass
182.0154912
Charge
0
InChI
InChI=1S/C7H3F5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,7H
InChIKey
UTBTXMURKRFVAB-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)F)C(F)F
Isomeric Smiles
c1(c(c(cc(c1)F)F)C(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7904396
LogD (pH = 7.4)
2.7904396
Log P
2.7904396
Molar Refractivity
31.7912
Polarizability
11.3548355
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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