Molecule

ID:57321

General Information
Structure
MolImage
Molecular Formula
C₅H₄BrNOS
Molecular Mass
206.06036
Exact Mass
204.91969675
Charge
0
InChI
InChI=1S/C5H4BrNOS/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H2,7,8)
InChIKey
WPIFYCRDSOUHLT-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cc(cs1)Br
Isomeric Smiles
c1(cc(cs1)Br)C(=O)N
Calculated Properties
JChem
Acid pKa
13.254316
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5055201
LogD (pH = 7.4)
1.5055207
Log P
1.5055201
Molar Refractivity
39.6491
Polarizability
14.93896
Polar Surface Area
43.09
Rotatable Bonds
1
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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