Molecule

ID:63135

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO₂S
Molecular Mass
135.18476
Exact Mass
135.03539953
Charge
0
InChI
InChI=1S/C4H9NO2S/c1-8(6,7)4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKey
CUSQXAPAQNXLMS-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)C1CNC1
Isomeric Smiles
C1C(CN1)S(=O)(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.950029
LogD (pH = 7.4)
-2.2156932
Log P
-1.4727546
Molar Refractivity
30.5858
Polarizability
13.122564
Polar Surface Area
46.17
Rotatable Bonds
1
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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