Molecule

ID:66153

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁F₃
Molecular Mass
236.2323496
Exact Mass
236.08128501
Charge
0
InChI
InChI=1S/C14H11F3/c15-14(16,17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKey
CNRPKWSJHKEVPD-UHFFFAOYSA-N
Canonic Smiles
FC(C(c1ccccc1)c1ccccc1)(F)F
Isomeric Smiles
C(C(c1ccccc1)c1ccccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.629353
LogD (pH = 7.4)
4.629353
Log P
4.629353
Molar Refractivity
61.2017
Polarizability
22.638002
Polar Surface Area
0.0
Rotatable Bonds
3
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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