Molecule

ID:18452

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrNO
Molecular Mass
186.00606
Exact Mass
184.94762575
Charge
0
InChI
InChI=1S/C6H4BrNO/c7-6-3-1-2-5(4-9)8-6/h1-4H
InChIKey
QWFHFNGMCPMOCD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(n1)Br
Isomeric Smiles
c1c(nc(cc1)C=O)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1168923
LogD (pH = 7.4)
2.1168935
Log P
2.1168935
Molar Refractivity
38.5649
Polarizability
14.31183
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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