Molecule

ID:61897

General Information
Structure
MolImage
Molecular Formula
C₇H₂F₄N₂
Molecular Mass
190.0977928
Exact Mass
190.01541095
Charge
0
InChI
InChI=1S/C7H2F4N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H
InChIKey
APIYAXCKQVOAAR-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncc(cc1F)C(F)(F)F
Isomeric Smiles
C(c1cc(c(nc1)C#N)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0180702
LogD (pH = 7.4)
2.0180702
Log P
2.0180702
Molar Refractivity
35.4408
Polarizability
12.547049
Polar Surface Area
36.68
Rotatable Bonds
1
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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