Molecule
ID:94259
General Information
Molecular Formula
C₈H₄F₄O₂
Molecular Mass
208.1097728
Exact Mass
208.01474225
Charge
0
InChI
InChI=1S/C8H4F4O2/c1-14-8(13)3-2-4(9)6(11)7(12)5(3)10/h2H,1H3
InChIKey
MAEQYZYOSFAUAF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(F)c(c(c1F)F)F
Isomeric Smiles
O(C(=O)c1cc(c(c(c1F)F)F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5475304
LogD (pH = 7.4)
2.5475304
Log P
2.5475304
Molar Refractivity
38.9489
Polarizability
14.1086
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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