Molecule

ID:98980

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₈I
Molecular Mass
341.9690156
Exact Mass
341.91517386
Charge
0
InChI
InChI=1S/C5H3F8I/c6-3(7,5(11,12)13)1-2(14)4(8,9)10/h2H,1H2
InChIKey
VMLCHUYCGAPWOJ-UHFFFAOYSA-N
Canonic Smiles
IC(C(F)(F)F)CC(C(F)(F)F)(F)F
Isomeric Smiles
IC(C(F)(F)F)CC(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.201782
LogD (pH = 7.4)
4.201782
Log P
4.201782
Molar Refractivity
39.2093
Polarizability
15.371807
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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