Molecule

ID:3113

General Information
Structure
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Molecular Formula
C₇H₁₅NO₄S
Molecular Mass
209.2633
Exact Mass
209.07217897
Charge
0
InChI
InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)
InChIKey
DVLFYONBTKHTER-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)CCCN1CCOCC1
Isomeric Smiles
OS(=O)(=O)CCCN1CCOCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-2.91
LogD (pH = 5.5)
-2.44
Log P
-2.43
Rotatable Bonds
4
H Donor
1
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
-0.96
Polar Surface Area
66.84
Polarizability
20.75
Molar Refractivity
48.61
LOG S
0.63
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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