Molecule

ID:55069

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁NO₂S
Molecular Mass
137.20064
Exact Mass
137.0510496
Charge
0
InChI
InChI=1S/C4H11NO2S/c1-2-8(6,7)4-3-5/h2-5H2,1H3
InChIKey
JMCWLZFPCMLCBV-UHFFFAOYSA-N
Canonic Smiles
NCCS(=O)(=O)CC
Isomeric Smiles
C(CS(=O)(=O)CC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.0324187
LogD (pH = 7.4)
-2.3779626
Log P
-1.4367691
Molar Refractivity
32.6518
Polarizability
13.832649
Polar Surface Area
60.16
Rotatable Bonds
3
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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