Molecule
ID:74686
General Information
Molecular Formula
C₁₀H₇ClO₂S₂
Molecular Mass
258.74438
Exact Mass
257.95759914
Charge
0
InChI
InChI=1S/C10H7ClO2S2/c11-15(12,13)9-6-7-14-10(9)8-4-2-1-3-5-8/h1-7H
InChIKey
HWTCQMPLZXWABG-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccsc1c1ccccc1
Isomeric Smiles
s1ccc(c1c1ccccc1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3439221
LogD (pH = 7.4)
3.3439221
Log P
3.3439221
Molar Refractivity
62.2783
Polarizability
25.989058
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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