Molecule

ID:14302

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₄S
Molecular Mass
277.72458
Exact Mass
277.01755655
Charge
0
InChI
InChI=1S/C10H12ClNO4S/c1-7-3-4-8(5-9(7)11)12(6-10(13)14)17(2,15)16/h3-5H,6H2,1-2H3,(H,13,14)
InChIKey
LZJVAMKMLYAEQZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(S(=O)(=O)C)c1ccc(c(c1)Cl)C
Isomeric Smiles
N(c1cc(c(cc1)C)Cl)(CC(=O)O)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
3.2889524
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0278236
LogD (pH = 7.4)
-2.2629068
Log P
1.1655104
Molar Refractivity
63.5685
Polarizability
25.45653
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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