Molecule

ID:69629

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClI
Molecular Mass
317.34949
Exact Mass
315.81513778
Charge
0
InChI
InChI=1S/C6H3BrClI/c7-5-3-4(8)1-2-6(5)9/h1-3H
InChIKey
CXHXFDQEFKFYQJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Br)I
Isomeric Smiles
c1(c(cc(cc1)Cl)Br)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2749877
LogD (pH = 7.4)
4.2749877
Log P
4.2749877
Molar Refractivity
51.8481
Polarizability
20.577639
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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