Molecule

ID:64127

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO₂S
Molecular Mass
143.1637
Exact Mass
143.00409941
Charge
0
InChI
InChI=1S/C5H5NO2S/c1-8-5(7)4-2-6-3-9-4/h2-3H,1H3
InChIKey
XDIBWBYTRTUUBJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cncs1
Isomeric Smiles
c1(C(=O)OC)scnc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.76795375
LogD (pH = 7.4)
0.76795495
Log P
0.767955
Molar Refractivity
33.0758
Polarizability
12.667196
Polar Surface Area
39.19
Rotatable Bonds
2
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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