Molecule

ID:79280

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂O₄S₂
Molecular Mass
236.30848
Exact Mass
236.01770086
Charge
0
InChI
InChI=1S/C8H12O4S2/c1-11-6(9)5(7(10)12-2)8(13-3)14-4/h1-4H3
InChIKey
RYTQSXPVBDGXEW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=C(SC)SC)C(=O)OC
Isomeric Smiles
O=C(C(=C(SC)SC)C(=O)OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3673613
LogD (pH = 7.4)
2.3673613
Log P
2.3673613
Molar Refractivity
67.7161
Polarizability
22.990381
Polar Surface Area
52.6
Rotatable Bonds
6
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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