Molecule

ID:132208

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₂S₂
Molecular Mass
193.28704
Exact Mass
193.0231206
Charge
0
InChI
InChI=1S/C6H11NO2S2/c1-11(8,9)5-3-2-4-7-6-10/h2-5H2,1H3
InChIKey
WNCZPWWLBZOFJL-UHFFFAOYSA-N
Canonic Smiles
S=C=NCCCCS(=O)(=O)C
Isomeric Smiles
CS(=O)(=O)CCCCN=C=S
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.32666498
LogD (pH = 7.4)
0.32666498
Log P
0.32666498
Molar Refractivity
49.3201
Polarizability
19.848408
Polar Surface Area
46.5
Rotatable Bonds
5
Lipinski's Rule of Five
true
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
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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