Molecule
ID:51283
General Information
Molecular Formula
C₇H₁₁NO₂S
Molecular Mass
173.23274
Exact Mass
173.0510496
Charge
0
InChI
InChI=1S/C7H11NO2S/c9-6-5-11-7(8-6)1-3-10-4-2-7/h1-5H2,(H,8,9)
InChIKey
GDGABQIOYWTEIA-UHFFFAOYSA-N
Canonic Smiles
O=C1CSC2(N1)CCOCC2
Isomeric Smiles
C12(NC(=O)CS1)CCOCC2
Calculated Properties
JChem
Acid pKa
11.411596
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.2063939
LogD (pH = 7.4)
0.2063569
Log P
0.20639436
Molar Refractivity
42.8447
Polarizability
17.182787
Polar Surface Area
38.33
Rotatable Bonds
0
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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