Molecule

ID:10348

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClO₂S
Molecular Mass
232.72702
Exact Mass
232.03247834
Charge
0
InChI
InChI=1S/C10H13ClO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3
InChIKey
OVFZELSNOHIDEF-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
c1cc(ccc1S(=O)(=O)Cl)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7666762
LogD (pH = 7.4)
3.7666762
Log P
3.7666762
Molar Refractivity
59.0964
Polarizability
23.648993
Polar Surface Area
34.14
Rotatable Bonds
4
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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