Molecule

ID:6530

General Information
Structure
Molecular Formula
C₁₄H₁₄F₈O₄
Molecular Mass
398.2457856
Exact Mass
398.07643469
Charge
0
InChI
InChI=1S/C14H14F8O4/c1-7(2)9(23)25-5-11(15,16)13(19,20)14(21,22)12(17,18)6-26-10(24)8(3)4/h1,3,5-6H2,2,4H3
InChIKey
JTNUTCQSBBMBTF-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C)C)OCC(C(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(COC(=O)C(=C)C)(F)F)(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.246496
LogD (pH = 7.4)
5.246496
Log P
5.246496
Molar Refractivity
69.5382
Polarizability
26.701696
Polar Surface Area
52.6
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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