Molecule

ID:9729

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁F₆N
Molecular Mass
307.2342592
Exact Mass
307.07956868
Charge
0
InChI
InChI=1S/C14H11F6N/c1-8-3-4-9(2)21(8)12-6-10(13(15,16)17)5-11(7-12)14(18,19)20/h3-7H,1-2H3
InChIKey
KUDHKDYSHKOCTC-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(cc(c1)C(F)(F)F)n1c(C)ccc1C)(F)F
Isomeric Smiles
n1(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(ccc1C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.089584
LogD (pH = 7.4)
5.089584
Log P
5.089584
Molar Refractivity
78.0572
Polarizability
24.176947
Polar Surface Area
4.93
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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