Molecule

ID:7714

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₈I
Molecular Mass
341.9690156
Exact Mass
341.91517386
Charge
0
InChI
InChI=1S/C5H3F8I/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2H,1H2
InChIKey
YMGYSVVJRMSEGU-UHFFFAOYSA-N
Canonic Smiles
ICC(C(C(C(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(CI)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
19.790722
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6354427
LogD (pH = 7.4)
3.6354427
Log P
3.6354427
Molar Refractivity
38.3733
Polarizability
15.356345
Polar Surface Area
0.0
Rotatable Bonds
4
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
References
Bioactivity
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