Molecule

ID:22405

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClNO₄S₂
Molecular Mass
355.8165
Exact Mass
354.97397749
Charge
0
InChI
InChI=1S/C14H10ClNO4S2/c15-21(17,18)14-10-16(13-9-5-4-8-12(13)14)22(19,20)11-6-2-1-3-7-11/h1-10H
InChIKey
RZOOMEPNEVZRIT-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(n1cc(c2c1cccc2)S(=O)(=O)Cl)c1ccccc1
Isomeric Smiles
n1(cc(c2ccccc12)S(=O)(=O)Cl)S(=O)(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9476848
LogD (pH = 7.4)
2.9476848
Log P
2.9476848
Molar Refractivity
84.359
Polarizability
35.310017
Polar Surface Area
73.21
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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