Molecule

ID:15986

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂O₄S₂
Molecular Mass
325.18824
Exact Mass
323.90845603
Charge
0
InChI
InChI=1S/C10H6Cl2O4S2/c11-17(13,14)9-3-1-7-5-10(18(12,15)16)4-2-8(7)6-9/h1-6H
InChIKey
VPLHHUICIOEESV-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc2c(c1)ccc(c2)S(=O)(=O)Cl
Isomeric Smiles
c1c(ccc2cc(ccc12)S(=O)(=O)Cl)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8553286
LogD (pH = 7.4)
2.8553286
Log P
2.8553286
Molar Refractivity
70.8966
Polarizability
29.977322
Polar Surface Area
68.28
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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