Molecule

ID:54024

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO₂S₂
Molecular Mass
203.28186
Exact Mass
203.00747053
Charge
0
InChI
InChI=1S/C7H9NO2S2/c1-10-6(9)5(4-8)7(11-2)12-3/h1-3H3
InChIKey
SJDBEROAEMAOJW-UHFFFAOYSA-N
Canonic Smiles
N#CC(=C(SC)SC)C(=O)OC
Isomeric Smiles
C(#N)C(=C(SC)SC)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2127495
LogD (pH = 7.4)
2.2127495
Log P
2.2127495
Molar Refractivity
61.9263
Polarizability
20.189842
Polar Surface Area
50.09
Rotatable Bonds
4
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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