Molecule

ID:96382

General Information
Structure
MolImage
Molecular Formula
C₁₁H₅F₃N₂O
Molecular Mass
238.1654096
Exact Mass
238.03539745
Charge
0
InChI
InChI=1S/C11H5F3N2O/c12-11(13,14)17-10-4-2-1-3-9(10)5-8(6-15)7-16/h1-5H
InChIKey
DXODVZSJFKMLRA-UHFFFAOYSA-N
Canonic Smiles
N#CC(=Cc1ccccc1OC(F)(F)F)C#N
Isomeric Smiles
N#CC(=Cc1ccccc1OC(F)(F)F)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.603672
LogD (pH = 7.4)
3.603672
Log P
3.603672
Molar Refractivity
50.1631
Polarizability
19.148138
Polar Surface Area
56.81
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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