Molecule
ID:121521
General Information
Molecular Formula
C₄H₆Br₂O₂S
Molecular Mass
277.96224
Exact Mass
275.84552443
Charge
0
InChI
InChI=1S/C4H6Br2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2/t3-,4-/m1/s1
InChIKey
CGWKQCYAMPDEGC-QWWZWVQMSA-N
Canonic Smiles
Br[C@@H]1CS(=O)(=O)C[C@H]1Br
Isomeric Smiles
S1(=O)(=O)C[C@H]([C@@H](C1)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6513861
LogD (pH = 7.4)
0.6513861
Log P
0.6513861
Molar Refractivity
41.5648
Polarizability
17.675764
Polar Surface Area
34.14
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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