Molecule

ID:93322

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆F₆N₂
Molecular Mass
280.1691592
Exact Mass
280.04351752
Charge
0
InChI
InChI=1S/C11H6F6N2/c12-10(13,14)8-6-9(11(15,16)17)19(18-8)7-4-2-1-3-5-7/h1-6H
InChIKey
IYNLHYNHSRWJHI-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(nn1c1ccccc1)C(F)(F)F)(F)F
Isomeric Smiles
n1(c2ccccc2)c(cc(n1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1206126
LogD (pH = 7.4)
4.1206126
Log P
4.1206126
Molar Refractivity
55.8726
Polarizability
19.99796
Polar Surface Area
17.82
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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