Molecule

ID:11828

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₀F₂₆O₄
Molecular Mass
808.2494832
Exact Mass
808.01639252
Charge
0
InChI
InChI=1S/C20H10F26O4/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)3-5-49-7(47)1-2-8(48)50-6-4-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h1-2H,3-6H2/b2-1-
InChIKey
KTDHXHZTHVKJGC-UPHRSURJSA-N
Canonic Smiles
O=C(/C=C\C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(/C=C\C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
10.174767
LogD (pH = 7.4)
10.174767
Log P
10.174767
Molar Refractivity
100.629
Polarizability
38.64869
Polar Surface Area
52.6
Rotatable Bonds
20
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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