Molecule

ID:92506

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)6-2-1-5(13-6)7-11-3-4-12-7/h1-2,7H,3-4H2
InChIKey
FXLSSUOFGGIMFF-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(s1)C1OCCO1
Isomeric Smiles
O1C(c2ccc(s2)S(=O)(=O)Cl)OCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9815805
LogD (pH = 7.4)
1.9815805
Log P
1.9815805
Molar Refractivity
51.6812
Polarizability
21.498905
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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