Molecule
ID:51930
General Information
Molecular Formula
C₅H₂Br₂O₂S
Molecular Mass
285.94118
Exact Mass
283.8142243
Charge
0
InChI
InChI=1S/C5H2Br2O2S/c6-2-1-3(7)10-4(2)5(8)9/h1H,(H,8,9)
InChIKey
YWOSIPRAZKDEIL-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(c(s1)C(=O)O)Br
Isomeric Smiles
c1c(c(sc1Br)C(=O)O)Br
Calculated Properties
JChem
Acid pKa
3.2228894
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9914474
LogD (pH = 7.4)
-0.19411702
Log P
3.2472112
Molar Refractivity
44.6096
Polarizability
17.760778
Polar Surface Area
37.3
Rotatable Bonds
1
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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