Molecule

ID:94549

General Information
Structure
MolImage
Molecular Formula
C₄F₄N₂
Molecular Mass
152.0498128
Exact Mass
151.99976089
Charge
0
InChI
InChI=1S/C4F4N2/c5-3(6,1-9)4(7,8)2-10
InChIKey
YNNRRZCWTDUBNT-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(C#N)(F)F)(F)F
Isomeric Smiles
N#CC(C(C#N)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2534316
LogD (pH = 7.4)
1.2534316
Log P
1.2534316
Molar Refractivity
21.7332
Polarizability
7.7777686
Polar Surface Area
47.58
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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