Molecule
ID:76922
General Information
Molecular Formula
C₅H₆Br₂
Molecular Mass
225.90914
Exact Mass
223.88362419
Charge
0
InChI
InChI=1S/C5H6Br2/c6-4-2-1-3-5(4)7/h1-3H2
InChIKey
PNWFXPGGROADNS-UHFFFAOYSA-N
Canonic Smiles
BrC1=C(Br)CCC1
Isomeric Smiles
BrC1=C(CCC1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3520489
LogD (pH = 7.4)
2.3520489
Log P
2.3520489
Molar Refractivity
39.498
Polarizability
14.792834
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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