Molecule

ID:76200

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁NO₂S
Molecular Mass
137.20064
Exact Mass
137.0510496
Charge
0
InChI
InChI=1S/C4H11NO2S/c1-5-3-4-8(2,6)7/h5H,3-4H2,1-2H3
InChIKey
GCPNZCTVVWEQKX-UHFFFAOYSA-N
Canonic Smiles
CNCCS(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(CCNC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.3894234
LogD (pH = 7.4)
-2.7548144
Log P
-1.513186
Molar Refractivity
32.7608
Polarizability
13.832649
Polar Surface Area
46.17
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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