Molecule

ID:82499

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO₂S₃
Molecular Mass
251.38932
Exact Mass
251.01084166
Charge
0
InChI
InChI=1S/C8H13NO2S3/c1-6(2)14(10,11)7(5-9)8(12-3)13-4/h6H,1-4H3
InChIKey
LNYYTENCHXMOOZ-UHFFFAOYSA-N
Canonic Smiles
N#CC(=C(SC)SC)S(=O)(=O)C(C)C
Isomeric Smiles
S(=O)(=O)(C(=C(SC)SC)C#N)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9492567
LogD (pH = 7.4)
1.9492567
Log P
1.9492567
Molar Refractivity
74.0744
Polarizability
25.439426
Polar Surface Area
57.93
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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