Molecule

ID:59513

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO₂S
Molecular Mass
143.1637
Exact Mass
143.00409941
Charge
0
InChI
InChI=1S/C5H5NO2S/c1-6-2-4(3-7)9-5(6)8/h2-3H,1H3
InChIKey
FAHDLRVFIGNFFI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c(=O)s1)C
Isomeric Smiles
c1(=O)n(cc(s1)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.13540068
LogD (pH = 7.4)
0.13540068
Log P
0.13540068
Molar Refractivity
36.1147
Polarizability
13.421176
Polar Surface Area
37.38
Rotatable Bonds
1
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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