Molecule

ID:67681

General Information
Structure
MolImage
Molecular Formula
C₆H₃Br₂NO
Molecular Mass
264.90212
Exact Mass
262.85813772
Charge
0
InChI
InChI=1S/C6H3Br2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H
InChIKey
WPBYVMDYYFWYAY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Br)cncc1Br
Isomeric Smiles
c1c(c(c(cn1)Br)C=O)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.005579
LogD (pH = 7.4)
2.005581
Log P
2.005581
Molar Refractivity
45.7307
Polarizability
17.4185
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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