Molecule

ID:77650

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄BrCl₂NO
Molecular Mass
304.95486
Exact Mass
302.88533111
Charge
0
InChI
InChI=1S/C10H4BrCl2NO/c11-5-1-2-8-6(3-5)7(10(13)15)4-9(12)14-8/h1-4H
InChIKey
KEDNSMBVYXSBFC-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)c(cc(n2)Cl)C(=O)Cl
Isomeric Smiles
n1c(cc(c2c1ccc(c2)Br)C(=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9147875
LogD (pH = 7.4)
3.9147875
Log P
3.9147875
Molar Refractivity
64.5829
Polarizability
25.494482
Polar Surface Area
29.96
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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