Molecule

ID:18463

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₄I
Molecular Mass
289.9968028
Exact Mass
289.92156098
Charge
0
InChI
InChI=1S/C7H3F4I/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H
InChIKey
NEFPMXMCSCGJLD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(F)(F)F)I
Isomeric Smiles
C(c1c(ccc(c1)F)I)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9227407
LogD (pH = 7.4)
3.9227407
Log P
3.9227407
Molar Refractivity
45.6106
Polarizability
17.037706
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
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References
Bioactivity
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