Molecule

ID:113536

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₂S
Molecular Mass
149.21134
Exact Mass
149.0510496
Charge
0
InChI
InChI=1S/C5H11NO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-4,6H2
InChIKey
YCTRDJGHVGMYAO-UHFFFAOYSA-N
Canonic Smiles
NCC1CCS(=O)(=O)C1
Isomeric Smiles
S1(=O)(=O)CC(CC1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.7034173
LogD (pH = 7.4)
-3.6768835
Log P
-1.7278267
Molar Refractivity
35.867
Polarizability
14.948934
Polar Surface Area
60.16
Rotatable Bonds
1
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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