Molecule

ID:136151

General Information
Structure
MolImage
Molecular Formula
C₄H₈Br₂
Molecular Mass
219.88493935
Exact Mass
217.91269361
Charge
0
InChI
InChI=1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2/i1+1,2+1,3+1,4+1
InChIKey
ULTHEAFYOOPTTB-JCDJMFQYSA-N
Canonic Smiles
Br[13CH2][13CH2][13CH2][13CH2]Br
Isomeric Smiles
[13CH2]([13CH2][13CH2]Br)[13CH2]Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.4488175
LogD (pH = 7.4)
2.4488175
Log P
2.4488175
Molar Refractivity
36.1326
Polarizability
13.925447
Polar Surface Area
0.0
Rotatable Bonds
3
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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