Molecule

ID:28497

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₅S₂
Molecular Mass
325.78898
Exact Mass
324.98454217
Charge
0
InChI
InChI=1S/C10H12ClNO5S2/c1-16-10(13)9-7(6-8(11)18-9)19(14,15)12-2-4-17-5-3-12/h6H,2-5H2,1H3
InChIKey
CPTHCUKGEGPZEP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(cc1S(=O)(=O)N1CCOCC1)Cl
Isomeric Smiles
c1(S(=O)(=O)N2CCOCC2)c(sc(c1)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4945272
LogD (pH = 7.4)
1.4945272
Log P
1.4945272
Molar Refractivity
69.9637
Polarizability
28.301428
Polar Surface Area
72.91
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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