Molecule

ID:64100

General Information
Structure
MolImage
Molecular Formula
C₄H₄BrNS
Molecular Mass
178.05026
Exact Mass
176.92478213
Charge
0
InChI
InChI=1S/C4H4BrNS/c1-3-2-7-4(5)6-3/h2H,1H3
InChIKey
KLFWJAAGXUDNIS-UHFFFAOYSA-N
Canonic Smiles
Cc1csc(n1)Br
Isomeric Smiles
n1c(scc1C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8274696
LogD (pH = 7.4)
1.8274758
Log P
1.8274759
Molar Refractivity
33.4827
Polarizability
12.97765
Polar Surface Area
12.89
Rotatable Bonds
0
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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