Molecule

ID:98568

General Information
Structure
Molecular Formula
C₁₁F₂₃IO
Molecular Mass
711.9848436
Exact Mass
711.86266168
Charge
0
InChI
InChI=1S/C11F23IO/c12-1(13,3(16,17)5(20,21)10(31,32)35)2(14,15)4(18,19)6(22,23)11(33,34)36-7(24,8(25,26)27)9(28,29)30
InChIKey
DQVDKUNLKZLJJV-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)F)F
Isomeric Smiles
IC(F)(F)C(F)(F)C(F)(F)C(C(C(C(F)(F)C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
9.879
LogD (pH = 7.4)
9.879
Log P
9.879
Molar Refractivity
70.6672
Polarizability
28.206957
Polar Surface Area
9.23
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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