Molecule

ID:13802

General Information
Structure
MolImage
Molecular Formula
C₈F₄N₂
Molecular Mass
200.0926128
Exact Mass
199.99976089
Charge
0
InChI
InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11
InChIKey
PCRSJGWFEMHHEW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)c(F)c(c(c1F)F)C#N
Isomeric Smiles
C(#N)c1c(c(c(C#N)c(c1F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2562459
LogD (pH = 7.4)
2.2562459
Log P
2.2562459
Molar Refractivity
38.3668
Polarizability
13.310278
Polar Surface Area
47.58
Rotatable Bonds
0
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
References
Bioactivity
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