Molecule

ID:42558

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO₄S
Molecular Mass
339.79396
Exact Mass
339.03320661
Charge
0
InChI
InChI=1S/C15H14ClNO4S/c1-21-15(18)14(11-5-3-2-4-6-11)17-22(19,20)13-9-7-12(16)8-10-13/h2-10,14,17H,1H3
InChIKey
ZEWYWJINYJHKIJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(NC(C(=O)OC)c1ccccc1)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
9.574848
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9672718
LogD (pH = 7.4)
2.9647412
Log P
2.967304
Molar Refractivity
83.129
Polarizability
33.408825
Polar Surface Area
72.47
Rotatable Bonds
5
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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