Molecule

ID:41130

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClNO₄S
Molecular Mass
317.78844
Exact Mass
317.04885668
Charge
0
InChI
InChI=1S/C13H16ClNO4S/c1-19-13(16)10-6-8-15(9-7-10)20(17,18)12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3
InChIKey
MIFDXCORWWJRKF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(N1CCC(C(=O)OC)CC1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.849678
LogD (pH = 7.4)
1.849678
Log P
1.849678
Molar Refractivity
75.9651
Polarizability
30.50493
Polar Surface Area
63.68
Rotatable Bonds
3
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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