Molecule

ID:8737

General Information
Structure
MolImage
Molecular Formula
C₄H₂Br₂S
Molecular Mass
241.93168
Exact Mass
239.82439506
Charge
0
InChI
InChI=1S/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2H
InChIKey
VGKLVWTVCUDISO-UHFFFAOYSA-N
Canonic Smiles
Brc1cscc1Br
Isomeric Smiles
c1(c(csc1)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.291193
LogD (pH = 7.4)
3.291193
Log P
3.291193
Molar Refractivity
38.4094
Polarizability
15.131098
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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