Molecule

ID:122537

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₅S
Molecular Mass
293.72398
Exact Mass
293.01247117
Charge
0
InChI
InChI=1S/C10H12ClNO5S/c1-17-9-4-3-7(5-8(9)11)12(6-10(13)14)18(2,15)16/h3-5H,6H2,1-2H3,(H,13,14)
InChIKey
SIDKJMWADDKMEM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cl)N(S(=O)(=O)C)CC(=O)O
Isomeric Smiles
S(=O)(=O)(N(c1cc(c(cc1)OC)Cl)CC(=O)O)C
Calculated Properties
JChem
Acid pKa
3.063974
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.9095151
LogD (pH = 7.4)
-2.9720693
Log P
0.4944178
Molar Refractivity
64.9905
Polarizability
26.29107
Polar Surface Area
83.91
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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