Molecule

ID:122804

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO₄S
Molecular Mass
289.73528
Exact Mass
289.01755655
Charge
0
InChI
InChI=1S/C11H12ClNO4S/c1-17-9-5-4-8(7-10(9)18(12,15)16)13-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3
InChIKey
RPCQDKRLVBOZRB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1S(=O)(=O)Cl)N1CCCC1=O
Isomeric Smiles
S(=O)(=O)(c1cc(N2C(=O)CCC2)ccc1OC)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.090657
LogD (pH = 7.4)
1.090657
Log P
1.090657
Molar Refractivity
67.5896
Polarizability
26.838978
Polar Surface Area
63.68
Rotatable Bonds
3
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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