Molecule

ID:70090

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₅S₂
Molecular Mass
326.38796
Exact Mass
326.02826555
Charge
0
InChI
InChI=1S/C14H14O5S2/c1-11-3-7-13(8-4-11)20(15,16)19-21(17,18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
PDVFSPNIEOYOQL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)OS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
c1(ccc(cc1)C)S(=O)(=O)OS(=O)(=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.933453
LogD (pH = 7.4)
3.933453
Log P
3.933453
Molar Refractivity
79.6644
Polarizability
32.450256
Polar Surface Area
77.51
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
References
Bioactivity
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