Molecule

ID:58796

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO₄S
Molecular Mass
263.698
Exact Mass
263.00190649
Charge
0
InChI
InChI=1S/C9H10ClNO4S/c1-6(12)11-7-3-4-8(15-2)9(5-7)16(10,13)14/h3-5H,1-2H3,(H,11,12)
InChIKey
VWKRNDWDKNOMAD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1S(=O)(=O)Cl)NC(=O)C
Isomeric Smiles
c1c(cc(c(c1)OC)S(=O)(=O)Cl)NC(=O)C
Calculated Properties
JChem
Acid pKa
14.228939
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.99958795
LogD (pH = 7.4)
0.9995879
Log P
0.99958795
Molar Refractivity
61.5784
Polarizability
23.905289
Polar Surface Area
72.47
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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