Molecule

ID:73746

General Information
Structure
MolImage
Molecular Formula
C₉H₈Br₂
Molecular Mass
275.96782
Exact Mass
273.89927426
Charge
0
InChI
InChI=1S/C9H8Br2/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6H,1,5H2
InChIKey
NFZYCGQKZPZZOW-UHFFFAOYSA-N
Canonic Smiles
BrC(=C)Cc1cccc(c1)Br
Isomeric Smiles
BrC(=C)Cc1cc(ccc1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0861325
LogD (pH = 7.4)
4.0861325
Log P
4.0861325
Molar Refractivity
55.6563
Polarizability
21.198666
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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