Molecule

ID:123981

General Information
Structure
MolImage
Molecular Formula
C₈H₃BrClNO₂
Molecular Mass
260.47192
Exact Mass
258.90356802
Charge
0
InChI
InChI=1S/C8H3BrClNO2/c9-5-2-3(10)1-4-6(5)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChIKey
OXVYPUHFVFBLBO-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Br)c2c(c1)C(=O)C(=O)N2
Isomeric Smiles
c12c(NC(=O)C1=O)c(cc(c2)Cl)Br
Calculated Properties
JChem
Acid pKa
8.471151
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9739
LogD (pH = 7.4)
2.9407887
Log P
2.974341
Molar Refractivity
52.9026
Polarizability
19.507938
Polar Surface Area
46.17
Rotatable Bonds
0
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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