Molecule

ID:76799

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈O₂S
Molecular Mass
190.30302
Exact Mass
190.10275082
Charge
0
InChI
InChI=1S/C9H18O2S/c1-3-5-7-12-8-6-9(10)11-4-2/h3-8H2,1-2H3
InChIKey
LVRFKDKDRMPZQF-UHFFFAOYSA-N
Canonic Smiles
CCCCSCCC(=O)OCC
Isomeric Smiles
O=C(CCSCCCC)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5576205
LogD (pH = 7.4)
2.5576205
Log P
2.5576205
Molar Refractivity
53.1654
Polarizability
21.132425
Polar Surface Area
26.3
Rotatable Bonds
8
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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