Molecule

ID:22259

General Information
Structure
MolImage
Molecular Formula
C₆H₅Br₂NO
Molecular Mass
266.918
Exact Mass
264.87378779
Charge
0
InChI
InChI=1S/C6H5Br2NO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChIKey
MBMQYTQCUCQJEH-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(cc1Br)Br
Isomeric Smiles
c1(cnc(c(c1)Br)OC)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7298644
LogD (pH = 7.4)
2.7298648
Log P
2.7298648
Molar Refractivity
45.9234
Polarizability
17.997917
Polar Surface Area
22.12
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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