Molecule

ID:34484

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO₃S
Molecular Mass
213.68238
Exact Mass
213.02264193
Charge
0
InChI
InChI=1S/C6H12ClNO3S/c1-5-3-8(12(7,9)10)4-6(2)11-5/h5-6H,3-4H2,1-2H3
InChIKey
IOHUKINMPIUAFU-UHFFFAOYSA-N
Canonic Smiles
CC1OC(C)CN(C1)S(=O)(=O)Cl
Isomeric Smiles
C1C(OC(CN1S(=O)(=O)Cl)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.41097006
LogD (pH = 7.4)
0.41097006
Log P
0.41097006
Molar Refractivity
46.5834
Polarizability
19.125319
Polar Surface Area
46.61
Rotatable Bonds
0
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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