Molecule

ID:9726

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇F₆N
Molecular Mass
279.1810992
Exact Mass
279.04826855
Charge
0
InChI
InChI=1S/C12H7F6N/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)19-3-1-2-4-19/h1-7H
InChIKey
BKSCRBOUGNMEKQ-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(cc(c1)n1cccc1)C(F)(F)F)(F)F
Isomeric Smiles
n1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6904616
LogD (pH = 7.4)
4.6904616
Log P
4.6904616
Molar Refractivity
67.7578
Polarizability
20.749496
Polar Surface Area
4.93
Rotatable Bonds
3
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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