Molecule

ID:92409

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClO₄S
Molecular Mass
258.67818
Exact Mass
257.97535738
Charge
0
InChI
InChI=1S/C10H7ClO4S/c11-16(12,13)10-6-9(7-14-10)15-8-4-2-1-3-5-8/h1-7H
InChIKey
IILZFFNMDRPULT-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1occ(c1)Oc1ccccc1
Isomeric Smiles
o1cc(cc1S(=O)(=O)Cl)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6493726
LogD (pH = 7.4)
2.6493726
Log P
2.6493726
Molar Refractivity
58.2597
Polarizability
23.671097
Polar Surface Area
56.51
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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