Molecule
ID:66125
General Information
Molecular Formula
C₁₃H₅F₇
Molecular Mass
294.1676224
Exact Mass
294.0279477
Charge
0
InChI
InChI=1S/C13H5F7/c14-8-7(9(15)11(17)12(18)10(8)16)13(19,20)6-4-2-1-3-5-6/h1-5H
InChIKey
PVQSUTUIPHIQML-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(F)c(c(c1C(c1ccccc1)(F)F)F)F
Isomeric Smiles
C(F)(c1ccccc1)(c1c(c(c(c(c1F)F)F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0346236
LogD (pH = 7.4)
5.0346236
Log P
5.0346236
Molar Refractivity
56.9442
Polarizability
20.31019
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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