Molecule

ID:73722

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂Cl₂O₅S
Molecular Mass
363.21308
Exact Mass
361.97824984
Charge
0
InChI
InChI=1S/C14H12Cl2O5S/c1-3-20-14(17)11-8(2)21-12(13(11)22(16,18)19)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3
InChIKey
OPEXBUHVPPZMAA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)oc(c1S(=O)(=O)Cl)c1ccc(cc1)Cl
Isomeric Smiles
o1c(c(S(=O)(=O)Cl)c(c1C)C(=O)OCC)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7909117
LogD (pH = 7.4)
3.7909117
Log P
3.7909117
Molar Refractivity
84.5077
Polarizability
34.19638
Polar Surface Area
73.58
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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