Molecule

ID:70648

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrF₃I
Molecular Mass
350.9023996
Exact Mass
349.84149476
Charge
0
InChI
InChI=1S/C7H3BrF3I/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H
InChIKey
NBSGEAPKXCFNTH-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1I)C(F)(F)F
Isomeric Smiles
c1(c(cc(cc1)C(F)(F)F)I)Br
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
20.300714
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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