Molecule

ID:94169

General Information
Structure
MolImage
Molecular Formula
C₇H₂BrClF₃I
Molecular Mass
385.3474596
Exact Mass
383.8025224
Charge
0
InChI
InChI=1S/C7H2BrClF3I/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H
InChIKey
RDWKEGGZLPOJAE-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cc(c1I)Br)C(F)(F)F
Isomeric Smiles
Ic1c(cc(cc1Cl)C(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.152836
LogD (pH = 7.4)
5.152836
Log P
5.152836
Molar Refractivity
57.8218
Polarizability
22.338318
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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