Molecule

ID:6529

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀F₈O₄
Molecular Mass
370.1926256
Exact Mass
370.04513456
Charge
0
InChI
InChI=1S/C12H10F8O4/c1-3-7(21)23-5-9(13,14)11(17,18)12(19,20)10(15,16)6-24-8(22)4-2/h3-4H,1-2,5-6H2
InChIKey
BWTMTZBMAGYMOD-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)OCC(C(C(C(COC(=O)C=C)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(COC(=O)C=C)(F)F)(C(C(COC(=O)C=C)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.455395
LogD (pH = 7.4)
4.455395
Log P
4.455395
Molar Refractivity
60.824
Polarizability
23.245173
Polar Surface Area
52.6
Rotatable Bonds
11
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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