Molecule

ID:98031

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉F₃
Molecular Mass
210.1950696
Exact Mass
210.06563495
Charge
0
InChI
InChI=1S/C12H9F3/c13-12(14,15)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKey
SMYNKUZNBBKATN-UHFFFAOYSA-N
Canonic Smiles
FC(Cc1ccc2c(c1)cccc2)(F)F
Isomeric Smiles
FC(Cc1cc2ccccc2cc1)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.110874
LogD (pH = 7.4)
4.110874
Log P
4.110874
Molar Refractivity
52.9337
Polarizability
20.518341
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
No Data Available
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Molecule Details
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References
Bioactivity
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