Molecule

ID:83173

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₅S₂
Molecular Mass
325.78898
Exact Mass
324.98454217
Charge
0
InChI
InChI=1S/C10H12ClNO5S2/c11-18(13,14)9-1-3-10(4-2-9)19(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2
InChIKey
ZZSBUDUHESWZJB-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1ccc(cc1)S(=O)(=O)Cl)N1CCOCC1
Isomeric Smiles
S(=O)(=O)(N1CCOCC1)c1ccc(cc1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.7544313
LogD (pH = 7.4)
0.7544313
Log P
0.7544313
Molar Refractivity
71.278
Polarizability
29.177341
Polar Surface Area
80.75
Rotatable Bonds
2
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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