Molecule

ID:84294

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂NO₄S
Molecular Mass
312.16964
Exact Mass
310.9785842
Charge
0
InChI
InChI=1S/C10H11Cl2NO4S/c1-2-17-10(14)6-18(15,16)5-7-3-8(11)13-9(12)4-7/h3-4H,2,5-6H2,1H3
InChIKey
ZXXUIBFZMWWYHF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CS(=O)(=O)Cc1cc(Cl)nc(c1)Cl
Isomeric Smiles
S(=O)(=O)(CC(=O)OCC)Cc1cc(nc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
7.8607416
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6751623
LogD (pH = 7.4)
1.5481615
Log P
1.4437149
Molar Refractivity
69.9912
Polarizability
27.66914
Polar Surface Area
73.33
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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