Molecule

ID:25223

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₂S
Molecular Mass
230.71114
Exact Mass
230.01682827
Charge
0
InChI
InChI=1S/C10H11ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2
InChIKey
FNEIMPFRVQQOMV-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc2c(c1)CCCC2
Isomeric Smiles
S(=O)(=O)(c1cc2c(cc1)CCCC2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.371803
LogD (pH = 7.4)
3.371803
Log P
3.371803
Molar Refractivity
57.7344
Polarizability
22.85681
Polar Surface Area
34.14
Rotatable Bonds
1
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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