Molecule

ID:19228

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClNO₃S
Molecular Mass
185.62922
Exact Mass
184.9913418
Charge
0
InChI
InChI=1S/C4H8ClNO3S/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2
InChIKey
KXIBCCFSAMRWIC-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)N1CCOCC1
Isomeric Smiles
S(=O)(=O)(N1CCOCC1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.42217997
LogD (pH = 7.4)
-0.42217997
Log P
-0.42217997
Molar Refractivity
37.7458
Polarizability
15.51569
Polar Surface Area
46.61
Rotatable Bonds
0
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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