Molecule

ID:69434

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₄S
Molecular Mass
206.2196
Exact Mass
206.03612781
Charge
0
InChI
InChI=1S/C6H10N2O4S/c1-3-11-5-6(12-4-2)8-13(9,10)7-5/h3-4H2,1-2H3
InChIKey
WZMXSPCYRSRMJT-UHFFFAOYSA-N
Canonic Smiles
CCOC1=NS(=O)(=O)N=C1OCC
Isomeric Smiles
S1(=O)(=O)N=C(C(=N1)OCC)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.3097915
LogD (pH = 7.4)
0.3097915
Log P
0.3097915
Molar Refractivity
44.7676
Polarizability
18.26649
Polar Surface Area
77.32
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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