Molecule

ID:120965

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂O₂S
Molecular Mass
208.66586
Exact Mass
208.00732622
Charge
0
InChI
InChI=1S/C6H9ClN2O2S/c1-5(2)9-4-6(3-8-9)12(7,10)11/h3-5H,1-2H3
InChIKey
NMTQIKMRKYKKBZ-UHFFFAOYSA-N
Canonic Smiles
CC(n1ncc(c1)S(=O)(=O)Cl)C
Isomeric Smiles
S(=O)(=O)(c1cn(nc1)C(C)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1207898
LogD (pH = 7.4)
1.1207919
Log P
1.1207919
Molar Refractivity
58.323
Polarizability
18.756935
Polar Surface Area
51.96
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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