Molecule

ID:85521

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O₄S₂
Molecular Mass
252.35094
Exact Mass
252.04900099
Charge
0
InChI
InChI=1S/C9H16O4S2/c1-3-12-8(10)5-14-7-15-6-9(11)13-4-2/h3-7H2,1-2H3
InChIKey
NBNGVIRHOBZBHM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CSCSCC(=O)OCC
Isomeric Smiles
O=C(OCC)CSCSCC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1559161
LogD (pH = 7.4)
1.1559161
Log P
1.1559161
Molar Refractivity
62.5073
Polarizability
25.038248
Polar Surface Area
52.6
Rotatable Bonds
10
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
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Molecule Details
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References
Bioactivity
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