Molecule
ID:100351
General Information
Molecular Formula
C₄HF₈I
Molecular Mass
327.9424356
Exact Mass
327.89952379
Charge
0
InChI
InChI=1S/C4HF8I/c5-1(6)2(7,8)3(9,10)4(11,12)13/h1H
InChIKey
YOCZVAMFHOCNFS-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(I)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(F)C(F)(C(C(I)(F)F)(F)F)F
Calculated Properties
JChem
Acid pKa
19.77657
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.184
LogD (pH = 7.4)
3.184
Log P
3.184
Molar Refractivity
34.2902
Polarizability
13.79645
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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