Molecule

ID:9313

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₃N
Molecular Mass
171.1192696
Exact Mass
171.02958379
Charge
0
InChI
InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H
InChIKey
DRNJIKRLQJRKMM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1(ccc(cc1)C(F)(F)F)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7071905
LogD (pH = 7.4)
2.7071905
Log P
2.7071905
Molar Refractivity
37.7533
Polarizability
13.352704
Polar Surface Area
23.79
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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