Molecule

ID:28598

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClNO₄S
Molecular Mass
317.78844
Exact Mass
317.04885668
Charge
0
InChI
InChI=1S/C13H16ClNO4S/c1-19-12-6-5-10(20(14,17)18)9-11(12)13(16)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKey
WVEYBKZFFUVXKC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C(=O)N1CCCCC1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(C(=O)N2CCCCC2)c(cc1)OC)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9102356
LogD (pH = 7.4)
1.9102361
Log P
1.9102361
Molar Refractivity
77.7292
Polarizability
30.290434
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
No Data Available
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Molecule Details
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References
Bioactivity
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