Molecule

ID:28624

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂N₂O₂S₂
Molecular Mass
295.16556
Exact Mass
293.90912474
Charge
0
InChI
InChI=1S/C8H4Cl2N2O2S2/c9-7-3-1-5(11-12-7)6-2-4-8(15-6)16(10,13)14/h1-4H
InChIKey
OMIBGPNXGDANBA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)c1ccc(s1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1sc(c2nnc(cc2)Cl)cc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.522548
LogD (pH = 7.4)
2.522548
Log P
2.522548
Molar Refractivity
64.6387
Polarizability
26.31775
Polar Surface Area
59.92
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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