Molecule

ID:79996

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂O₃S
Molecular Mass
283.17148
Exact Mass
281.9884206
Charge
0
InChI
InChI=1S/C10H12Cl2O3S/c1-8-2-4-10(5-3-8)16(13,14)15-9(6-11)7-12/h2-5,9H,6-7H2,1H3
InChIKey
GGZHRTGYCGWDQN-UHFFFAOYSA-N
Canonic Smiles
ClCC(OS(=O)(=O)c1ccc(cc1)C)CCl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)OC(CCl)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4342813
LogD (pH = 7.4)
3.4342813
Log P
3.4342813
Molar Refractivity
64.5608
Polarizability
26.207329
Polar Surface Area
43.37
Rotatable Bonds
5
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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