Molecule

ID:64151

General Information
Structure
MolImage
Molecular Formula
C₅H₆BrNOS
Molecular Mass
208.07624
Exact Mass
206.93534682
Charge
0
InChI
InChI=1S/C5H6BrNOS/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3
InChIKey
WWAHHXIZNAPEBY-UHFFFAOYSA-N
Canonic Smiles
CCOc1nc(cs1)Br
Isomeric Smiles
n1c(scc1Br)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4896998
LogD (pH = 7.4)
2.4896998
Log P
2.4896998
Molar Refractivity
40.4165
Polarizability
15.595581
Polar Surface Area
22.12
Rotatable Bonds
2
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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