Molecule

ID:12074

General Information
Structure
MolImage
Molecular Formula
C₁₂F₂₄O₂
Molecular Mass
632.0888768
Exact Mass
631.95150652
Charge
0
InChI
InChI=1S/C12F24O2/c13-1(14)2(15,16)7(25,37-11(33,34)5(21,22)9(27,28)29)4(19,20)8(26,3(1,17)18)38-12(35,36)6(23,24)10(30,31)32
InChIKey
ANARGVKRHRBDMP-UHFFFAOYSA-N
Canonic Smiles
FC(C(OC1(F)C(F)(F)C(F)(OC(C(C(F)(F)F)(F)F)(F)F)C(C(C1(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
C1(C(C(C(C(C1(F)F)(F)F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
8.977203
LogD (pH = 7.4)
8.977203
Log P
8.977203
Molar Refractivity
61.6386
Polarizability
24.674583
Polar Surface Area
18.46
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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