Molecule

ID:54234

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO₂S
Molecular Mass
143.1637
Exact Mass
143.00409941
Charge
0
InChI
InChI=1S/C5H5NO2S/c1-3-4(5(7)8)2-9-6-3/h2H,1H3,(H,7,8)
InChIKey
BOTUFHIAKJCIPY-UHFFFAOYSA-N
Canonic Smiles
Cc1nscc1C(=O)O
Isomeric Smiles
c1(C(=O)O)c(nsc1)C
Calculated Properties
JChem
Acid pKa
3.2655714
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5534456
LogD (pH = 7.4)
-2.7150433
Log P
0.49836954
Molar Refractivity
33.8467
Polarizability
12.36487
Polar Surface Area
50.19
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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