Molecule

ID:51706

General Information
Structure
MolImage
Molecular Formula
C₆H₅Br₂N
Molecular Mass
250.9186
Exact Mass
248.87887317
Charge
0
InChI
InChI=1S/C6H5Br2N/c1-4-5(7)2-9-3-6(4)8/h2-3H,1H3
InChIKey
BNCGUATWCKZLLN-UHFFFAOYSA-N
Canonic Smiles
Brc1cncc(c1C)Br
Isomeric Smiles
c1c(c(c(cn1)Br)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8057117
LogD (pH = 7.4)
2.8064902
Log P
2.8065
Molar Refractivity
44.1879
Polarizability
17.131947
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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