Molecule

ID:110362

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₂S₂
Molecular Mass
236.35484
Exact Mass
236.06531976
Charge
0
InChI
InChI=1S/C8H16N2O2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H2
InChIKey
HLBZWYXLQJQBKU-UHFFFAOYSA-N
Canonic Smiles
O1CCN(CC1)SSN1CCOCC1
Isomeric Smiles
C1CN(CCO1)SSN1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.04952218
LogD (pH = 7.4)
0.049545836
Log P
0.049546137
Molar Refractivity
57.4474
Polarizability
24.603645
Polar Surface Area
24.94
Rotatable Bonds
3
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
References
Bioactivity
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