Molecule
ID:59503
General Information
Molecular Formula
C₆H₉NO₂S
Molecular Mass
159.20616
Exact Mass
159.03539953
Charge
0
InChI
InChI=1S/C6H9NO2S/c1-2-9-6-7-3-5(4-8)10-6/h3,8H,2,4H2,1H3
InChIKey
FDGAQIGCOKUYBM-UHFFFAOYSA-N
Canonic Smiles
CCOc1ncc(s1)CO
Isomeric Smiles
c1(ncc(s1)CO)OCC
Calculated Properties
JChem
Acid pKa
13.7079115
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8805138
LogD (pH = 7.4)
0.88051474
Log P
0.8805149
Molar Refractivity
38.5515
Polarizability
15.017473
Polar Surface Area
42.35
Rotatable Bonds
3
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
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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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