Molecule

ID:7691

General Information
Structure
MolImage
Molecular Formula
C₈ClF₁₆I
Molecular Mass
562.4175212
Exact Mass
561.8477772
Charge
0
InChI
InChI=1S/C8ClF16I/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
InChIKey
UUDAHXKFALCGJQ-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)(Cl)F
Isomeric Smiles
C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.427
LogD (pH = 7.4)
7.427
Log P
7.427
Molar Refractivity
58.6867
Polarizability
23.398365
Polar Surface Area
0.0
Rotatable Bonds
7
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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