Molecule

ID:86557

General Information
Structure
MolImage
Molecular Formula
C₅H₃NO₂S
Molecular Mass
141.14782
Exact Mass
140.98844934
Charge
0
InChI
InChI=1S/C5H3NO2S/c7-1-4-5(2-8)9-3-6-4/h1-3H
InChIKey
BKHZLTKQOBJPLB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1scnc1C=O
Isomeric Smiles
s1cnc(c1C=O)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8640253
LogD (pH = 7.4)
0.86402583
Log P
0.86402583
Molar Refractivity
33.8333
Polarizability
12.067154
Polar Surface Area
47.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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