Molecule

ID:50770

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClNO₄S
Molecular Mass
303.76186
Exact Mass
303.03320661
Charge
0
InChI
InChI=1S/C12H14ClNO4S/c1-2-19(16,17)9-3-4-11-10(7-9)14(5-6-18-11)12(15)8-13/h3-4,7H,2,5-6,8H2,1H3
InChIKey
URPLHPXNSDXBMX-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCOc2c1cc(cc2)S(=O)(=O)CC
Isomeric Smiles
N1(c2cc(S(=O)(=O)CC)ccc2OCC1)C(=O)CCl
Calculated Properties
JChem
Acid pKa
16.725266
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.63247555
LogD (pH = 7.4)
0.63247555
Log P
0.63247555
Molar Refractivity
71.9535
Polarizability
28.604866
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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