Molecule
ID:44010
General Information
Molecular Formula
C₅H₉ClO₄S
Molecular Mass
200.64056
Exact Mass
199.99100745
Charge
0
InChI
InChI=1S/C5H9ClO4S/c1-2-10-5(7)3-4-11(6,8)9/h2-4H2,1H3
InChIKey
JIQDEHYHHKZBRI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCS(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(CCC(=O)OCC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.17491001
LogD (pH = 7.4)
0.17491001
Log P
0.17491001
Molar Refractivity
40.5287
Polarizability
17.017637
Polar Surface Area
60.44
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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