Molecule

ID:11996

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₁₁I
Molecular Mass
409.9669852
Exact Mass
409.90255848
Charge
0
InChI
InChI=1S/C6H2F11I/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h1H2
InChIKey
NVPYUCSZZRWYML-UHFFFAOYSA-N
Canonic Smiles
ICC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(I)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.824846
LogD (pH = 7.4)
4.824846
Log P
4.824846
Molar Refractivity
43.931
Polarizability
17.416351
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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