Molecule

ID:64342

General Information
Structure
Molecular Formula
C₅H₅NO₂S
Molecular Mass
143.1637
Exact Mass
143.00409941
Charge
0
InChI
InChI=1S/C5H5NO2S/c1-8-5(7)4-2-9-3-6-4/h2-3H,1H3
InChIKey
KUWWRNNYEYGSBQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cscn1
Isomeric Smiles
c1(ncsc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.82136476
LogD (pH = 7.4)
0.8213659
Log P
0.8213659
Molar Refractivity
32.9197
Polarizability
12.663505
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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