Molecule

ID:11995

General Information
Structure
MolImage
Molecular Formula
C₇H₂F₁₃I
Molecular Mass
459.9744916
Exact Mass
459.89936492
Charge
0
InChI
InChI=1S/C7H2F13I/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1H2
InChIKey
GBDROMNKGSCMDH-UHFFFAOYSA-N
Canonic Smiles
ICC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(I)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.525489
LogD (pH = 7.4)
5.525489
Log P
5.525489
Molar Refractivity
48.599
Polarizability
19.325975
Polar Surface Area
0.0
Rotatable Bonds
6
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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