Molecule

ID:64111

General Information
Structure
MolImage
Molecular Formula
C₄H₂BrNOS
Molecular Mass
192.03378
Exact Mass
190.90404669
Charge
0
InChI
InChI=1S/C4H2BrNOS/c5-4-6-3(1-7)2-8-4/h1-2H
InChIKey
MNQVIZWWCRPZOK-UHFFFAOYSA-N
Canonic Smiles
Brc1nc(cs1)C=O
Isomeric Smiles
n1c(scc1C=O)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.083151
LogD (pH = 7.4)
2.083151
Log P
2.083151
Molar Refractivity
35.09
Polarizability
13.269273
Polar Surface Area
29.96
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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