Molecule

ID:9592

General Information
Structure
MolImage
Molecular Formula
C₇F₇I
Molecular Mass
343.9681924
Exact Mass
343.89329554
Charge
0
InChI
InChI=1S/C7F7I/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
InChIKey
KBTGPFZDZIZYLB-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(F)c(c(c1F)C(I)(F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)C(I)(F)F)F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7327
LogD (pH = 7.4)
3.7327
Log P
3.7327
Molar Refractivity
46.0884
Polarizability
17.059738
Polar Surface Area
0.0
Rotatable Bonds
1
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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