Molecule

ID:78302

General Information
Structure
MolImage
Molecular Formula
C₆H₃Br₂NO
Molecular Mass
264.90212
Exact Mass
262.85813772
Charge
0
InChI
InChI=1S/C6H3Br2NO/c7-5-1-4(3-10)2-6(8)9-5/h1-3H
InChIKey
OVMDNAWSEWSGDV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)nc(c1)Br
Isomeric Smiles
n1c(cc(cc1Br)C=O)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.416625
LogD (pH = 7.4)
2.416625
Log P
2.416625
Molar Refractivity
47.4151
Polarizability
17.503084
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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