Molecule

ID:98034

General Information
Structure
MolImage
Molecular Formula
C₉H₆F₆
Molecular Mass
228.1343592
Exact Mass
228.03736951
Charge
0
InChI
InChI=1S/C9H6F6/c1-5-2-3-6(8(10,11)12)7(4-5)9(13,14)15/h2-4H,1H3
InChIKey
ZLZIWTFMKQRYNZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(c1c(cc(cc1)C)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2423644
LogD (pH = 7.4)
4.2423644
Log P
4.2423644
Molar Refractivity
43.0466
Polarizability
14.853419
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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