Molecule

ID:94335

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂F₁₁IO
Molecular Mass
496.0992852
Exact Mass
495.97572342
Charge
0
InChI
InChI=1S/C11H12F11IO/c1-2-3-4-6(23)5-7(12,9(15,16)17)24-11(21,22)8(13,14)10(18,19)20/h6H,2-5H2,1H3
InChIKey
JQEZOODFYSEAMT-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)I
Isomeric Smiles
O(C(F)(C(F)(F)C(F)(F)F)F)C(C(F)(F)F)(CC(CCCC)I)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.48896
LogD (pH = 7.4)
7.48896
Log P
7.48896
Molar Refractivity
69.1237
Polarizability
26.446802
Polar Surface Area
9.23
Rotatable Bonds
10
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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