Molecule

ID:92508

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClO₄S₂
Molecular Mass
254.71108
Exact Mass
253.94742838
Charge
0
InChI
InChI=1S/C7H7ClO4S2/c8-14(9,10)7-5(1-4-13-7)6-11-2-3-12-6/h1,4,6H,2-3H2
InChIKey
RRTOURREASJQSR-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1sccc1C1OCCO1
Isomeric Smiles
O1C(c2c(scc2)S(=O)(=O)Cl)OCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8491411
LogD (pH = 7.4)
1.8491411
Log P
1.8491411
Molar Refractivity
51.8971
Polarizability
21.493876
Polar Surface Area
52.6
Rotatable Bonds
2
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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