Molecule

ID:50683

General Information
Structure
MolImage
Molecular Formula
C₆H₅Br₂N
Molecular Mass
250.9186
Exact Mass
248.87887317
Charge
0
InChI
InChI=1S/C6H5Br2N/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2
InChIKey
LSRDTCMNGSMEEI-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(n1)Br
Isomeric Smiles
n1c(Br)cccc1CBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5840518
LogD (pH = 7.4)
2.584057
Log P
2.5840573
Molar Refractivity
44.6943
Polarizability
17.152765
Polar Surface Area
12.89
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
Molecule Details
References
Bioactivity
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