Molecule

ID:78973

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClO₃S
Molecular Mass
242.67878
Exact Mass
241.98044276
Charge
0
InChI
InChI=1S/C10H7ClO3S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6H,(H,12,13,14)
InChIKey
OPFNCYFEIBUZHU-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc2c1c(ccc2)S(=O)(=O)O
Isomeric Smiles
S(=O)(=O)(c1cccc2cccc(c12)Cl)O
Calculated Properties
JChem
Acid pKa
-2.2937648
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.37127683
LogD (pH = 7.4)
0.3712752
Log P
2.747674
Molar Refractivity
57.9355
Polarizability
24.296558
Polar Surface Area
54.37
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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