Molecule

ID:97341

General Information
Structure
Molecular Formula
C₁₃F₂₂
Molecular Mass
574.1039704
Exact Mass
573.96487084
Charge
0
InChI
InChI=1S/C13F22/c14-1-2(15)4(17,9(26,27)13(34,35)11(30,31)7(2,22)23)5(18,19)3(1,16)8(24,25)12(32,33)10(28,29)6(1,20)21
InChIKey
PDFYOLXVKFUEPM-UHFFFAOYSA-N
Canonic Smiles
FC1(F)C2(F)C(C3(C1(F)C(F)(F)C(C(C3(F)F)(F)F)(F)F)F)(F)C(F)(F)C(C(C2(F)F)(F)F)(F)F
Isomeric Smiles
FC1(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.7008367
LogD (pH = 7.4)
6.7008367
Log P
6.7008367
Molar Refractivity
54.714
Polarizability
23.068293
Polar Surface Area
0.0
Rotatable Bonds
0
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
References
Bioactivity
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