Molecule

ID:98702

General Information
Structure
Molecular Formula
C₁₂F₂₆
Molecular Mass
638.0868832
Exact Mass
637.95848372
Charge
0
InChI
InChI=1S/C12F26/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38
InChIKey
WNZGTRLARPEMIG-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(C(C(C(F)(F)C(C(C(F)(F)C(F)(F)C(C(F)(C(F)(C(F)(F)F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
9.088144
LogD (pH = 7.4)
9.088144
Log P
9.088144
Molar Refractivity
59.5492
Polarizability
23.965794
Polar Surface Area
0.0
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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