Molecule

ID:52784

General Information
Structure
MolImage
Molecular Formula
C₆H₅Br₂NO₂S
Molecular Mass
314.9824
Exact Mass
312.84077341
Charge
0
InChI
InChI=1S/C6H5Br2NO2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3
InChIKey
SAEIBOLCDWLABF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc(sc1Br)Br
Isomeric Smiles
c1(c(nc(s1)Br)C(=O)OCC)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1769896
LogD (pH = 7.4)
3.1769896
Log P
3.1769896
Molar Refractivity
52.0758
Polarizability
20.8308
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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