Molecule

ID:92112

General Information
Structure
MolImage
Molecular Formula
C₄H₄BrNS
Molecular Mass
178.05026
Exact Mass
176.92478213
Charge
0
InChI
InChI=1S/C4H4BrNS/c1-3-6-4(5)2-7-3/h2H,1H3
InChIKey
LYRXILTUZBBMNS-UHFFFAOYSA-N
Canonic Smiles
Brc1csc(n1)C
Isomeric Smiles
n1c(scc1Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7293348
LogD (pH = 7.4)
1.7293774
Log P
1.729378
Molar Refractivity
34.1721
Polarizability
12.94885
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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