Molecule

ID:70384

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrF₃I
Molecular Mass
350.9023996
Exact Mass
349.84149476
Charge
0
InChI
InChI=1S/C7H3BrF3I/c8-4-1-2-5(6(12)3-4)7(9,10)11/h1-3H
InChIKey
PGFPLTAEOHMUKY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)I)C(F)(F)F
Isomeric Smiles
c1(c(cc(cc1)Br)I)C(F)(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
20.296778
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
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Molecule Details
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References
Bioactivity
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