Molecule

ID:8736

General Information
Structure
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Molecular Formula
C₄H₂Br₂S
Molecular Mass
241.93168
Exact Mass
239.82439506
Charge
0
InChI
InChI=1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H
InChIKey
KBVDUUXRXJTAJC-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(s1)Br
Isomeric Smiles
c1cc(sc1Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.623185
LogD (pH = 7.4)
3.623185
Log P
3.623185
Molar Refractivity
36.7292
Polarizability
15.183446
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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