Molecule

ID:112949

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₃N₂
Molecular Mass
172.1073296
Exact Mass
172.02483277
Charge
0
InChI
InChI=1S/C7H3F3N2/c8-7(9,10)5-2-1-3-12-6(5)4-11/h1-3H
InChIKey
RDEFTHKSTLWCEU-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncccc1C(F)(F)F
Isomeric Smiles
C(c1c(C#N)nccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8753659
LogD (pH = 7.4)
1.8753684
Log P
1.8753684
Molar Refractivity
35.2244
Polarizability
12.592926
Polar Surface Area
36.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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