Molecule

ID:33575

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂S
Molecular Mass
146.2074
Exact Mass
146.04015056
Charge
0
InChI
InChI=1S/C6H10O2S/c1-3-4-9-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
InChIKey
ZDJCWQSKOWVJHU-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)SCC=C
Isomeric Smiles
C(=O)(C(SCC=C)C)O
Calculated Properties
JChem
Acid pKa
4.553143
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5942402
LogD (pH = 7.4)
-1.1790586
Log P
1.586465
Molar Refractivity
38.8297
Polarizability
15.131127
Polar Surface Area
37.3
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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