Molecule

ID:9725

General Information
Structure
MolImage
Molecular Formula
C₁₁H₅F₆N
Molecular Mass
265.1545192
Exact Mass
265.03261849
Charge
0
InChI
InChI=1S/C11H5F6N/c12-10(13,14)8-4-7(2-1-3-18)5-9(6-8)11(15,16)17/h1-2,4-6H/b2-1+
InChIKey
XZINYAZSRZTYPY-OWOJBTEDSA-N
Canonic Smiles
N#C/C=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(=C\C#N)/c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.116399
LogD (pH = 7.4)
4.116399
Log P
4.116399
Molar Refractivity
53.9866
Polarizability
18.200836
Polar Surface Area
23.79
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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