Molecule

ID:83174

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₄S₂
Molecular Mass
309.78958
Exact Mass
308.98962755
Charge
0
InChI
InChI=1S/C10H12ClNO4S2/c11-17(13,14)9-3-5-10(6-4-9)18(15,16)12-7-1-2-8-12/h3-6H,1-2,7-8H2
InChIKey
ZXYZKIFFWKXROK-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1ccc(cc1)S(=O)(=O)Cl)N1CCCC1
Isomeric Smiles
S(=O)(=O)(N1CCCC1)c1ccc(cc1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3787292
LogD (pH = 7.4)
1.3787292
Log P
1.3787292
Molar Refractivity
69.7445
Polarizability
28.419928
Polar Surface Area
71.52
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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