Molecule

ID:84092

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₄S
Molecular Mass
345.1978
Exact Mass
343.96768516
Charge
0
InChI
InChI=1S/C14H10Cl2O4S/c1-9-2-4-12(5-3-9)21(18,19)20-14-10(8-17)6-11(15)7-13(14)16/h2-8H,1H3
InChIKey
NOGFZFMBPXBJGA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)cc(c1OS(=O)(=O)c1ccc(cc1)C)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)Oc1c(cc(cc1Cl)Cl)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.624085
LogD (pH = 7.4)
4.624085
Log P
4.624085
Molar Refractivity
82.1752
Polarizability
32.256798
Polar Surface Area
60.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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