Molecule
ID:51325
General Information
Molecular Formula
C₅H₃BrI₂S
Molecular Mass
428.85526
Exact Mass
427.7228291
Charge
0
InChI
InChI=1S/C5H3BrI2S/c1-2-4(7)3(6)5(8)9-2/h1H3
InChIKey
XBAGZXADGJIDLT-UHFFFAOYSA-N
Canonic Smiles
Ic1sc(c(c1Br)I)C
Isomeric Smiles
c1(c(sc(c1I)C)I)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.1921864
LogD (pH = 7.4)
5.1921864
Log P
5.1921864
Molar Refractivity
61.7278
Polarizability
24.884497
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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