Molecule

ID:99623

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrF₃I
Molecular Mass
350.9023996
Exact Mass
349.84149476
Charge
0
InChI
InChI=1S/C7H3BrF3I/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H
InChIKey
FTIZUXGKTNJZEG-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)C(F)(F)F)I
Isomeric Smiles
FC(c1c(ccc(c1)Br)I)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5487914
LogD (pH = 7.4)
4.5487914
Log P
4.5487914
Molar Refractivity
53.017
Polarizability
20.29661
Polar Surface Area
0.0
Rotatable Bonds
1
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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