Molecule

ID:76194

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClO₂S
Molecular Mass
280.76982
Exact Mass
280.03247834
Charge
0
InChI
InChI=1S/C14H13ClO2S/c15-18(16,17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKey
DYESDWUOAPVIIV-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)CC(c1ccccc1)c1ccccc1
Isomeric Smiles
S(=O)(=O)(CC(c1ccccc1)c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4691231
LogD (pH = 7.4)
3.4691231
Log P
3.4691231
Molar Refractivity
74.1612
Polarizability
29.655495
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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