Molecule

ID:95815

General Information
Structure
MolImage
Molecular Formula
C₁₂F₂₆O₄
Molecular Mass
702.0844832
Exact Mass
701.9381422
Charge
0
InChI
InChI=1S/C12F26O4/c13-1(14,9(29,30)41-11(33,34)35)7(25,26)39-3(17,5(19,20)21)4(18,6(22,23)24)40-8(27,28)2(15,16)10(31,32)42-12(36,37)38
InChIKey
NDLQUALGYZMAAK-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(F)(F)F)(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F)(C(F)(F)F)OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)C(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
11.126049
LogD (pH = 7.4)
11.126049
Log P
11.126049
Molar Refractivity
61.367
Polarizability
27.270235
Polar Surface Area
36.92
Rotatable Bonds
15
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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