Molecule
ID:61446
General Information
Molecular Formula
C₅H₅NO₂S
Molecular Mass
143.1637
Exact Mass
143.00409941
Charge
0
InChI
InChI=1S/C5H5NO2S/c6-5(8)4-3(7)1-2-9-4/h1-2,7H,(H2,6,8)
InChIKey
RVURYQBOSVZXOT-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1sccc1O
Isomeric Smiles
c1(c(ccs1)O)C(=O)N
Calculated Properties
JChem
Acid pKa
7.0037823
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0701048
LogD (pH = 7.4)
0.5641829
Log P
1.0832021
Molar Refractivity
34.0072
Polarizability
12.556749
Polar Surface Area
63.32
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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