Molecule

ID:14299

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO₄S
Molecular Mass
263.698
Exact Mass
263.00190649
Charge
0
InChI
InChI=1S/C9H10ClNO4S/c1-16(14,15)11(6-9(12)13)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,12,13)
InChIKey
SIKVXDUHKCTFMJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(S(=O)(=O)C)c1ccc(cc1)Cl
Isomeric Smiles
N(c1ccc(cc1)Cl)(CC(=O)O)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
3.1348612
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6861459
LogD (pH = 7.4)
-2.8041265
Log P
0.65208906
Molar Refractivity
58.5273
Polarizability
23.703466
Polar Surface Area
74.68
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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