Molecule

ID:95155

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂F₃N
Molecular Mass
239.2362896
Exact Mass
239.09218405
Charge
0
InChI
InChI=1S/C13H12F3N/c1-9-3-4-10(2)17(9)12-7-5-11(6-8-12)13(14,15)16/h3-8H,1-2H3
InChIKey
UWHVRMCDWMXTOE-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)n1c(C)ccc1C)(F)F
Isomeric Smiles
n1(c2ccc(cc2)C(F)(F)F)c(ccc1C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4736
LogD (pH = 7.4)
3.4736
Log P
3.4736
Molar Refractivity
72.0835
Polarizability
22.796656
Polar Surface Area
4.93
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
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Molecule Details
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References
Bioactivity
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