Molecule

ID:89623

General Information
Structure
Molecular Formula
C₅H₉ClO₄S
Molecular Mass
200.64056
Exact Mass
199.99100745
Charge
0
InChI
InChI=1S/C5H9ClO4S/c1-10-5(7)3-2-4-11(6,8)9/h2-4H2,1H3
InChIKey
JJXNQSGCXYTONF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCS(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(CCCC(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.106763266
LogD (pH = 7.4)
0.106763266
Log P
0.106763266
Molar Refractivity
40.5351
Polarizability
17.017605
Polar Surface Area
60.44
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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