Molecule

ID:32962

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClNO
Molecular Mass
220.45112
Exact Mass
218.9086534
Charge
0
InChI
InChI=1S/C6H3BrClNO/c7-5-2-1-4(3-10)6(8)9-5/h1-3H
InChIKey
SVKNHWDBCZRAOC-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Br)ccc1C=O
Isomeric Smiles
c1c(nc(c(c1)C=O)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2665722
LogD (pH = 7.4)
2.2665722
Log P
2.2665722
Molar Refractivity
44.8162
Polarizability
16.37284
Polar Surface Area
29.96
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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