Molecule

ID:32114

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₅
Molecular Mass
196.117316
Exact Mass
196.03114126
Charge
0
InChI
InChI=1S/C8H5F5/c1-8(12,13)7-5(10)2-4(9)3-6(7)11/h2-3H,1H3
InChIKey
NEUJLUFALXXWLP-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)F)C(F)(F)C
Isomeric Smiles
c1c(c(c(cc1F)F)C(C)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0385025
LogD (pH = 7.4)
3.0385025
Log P
3.0385025
Molar Refractivity
36.813
Polarizability
13.086662
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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