Molecule

ID:57269

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO₂S
Molecular Mass
135.18476
Exact Mass
135.03539953
Charge
0
InChI
InChI=1S/C4H9NO2S/c5-4(7)3-8-2-1-6/h6H,1-3H2,(H2,5,7)
InChIKey
OXASESSZXSXIFI-UHFFFAOYSA-N
Canonic Smiles
OCCSCC(=O)N
Isomeric Smiles
C(=O)(N)CSCCO
Calculated Properties
JChem
Acid pKa
15.436114
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.3665011
LogD (pH = 7.4)
-1.3665011
Log P
-1.3665011
Molar Refractivity
33.4416
Polarizability
13.049509
Polar Surface Area
63.32
Rotatable Bonds
4
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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