Molecule

ID:86646

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₂N₃O₂S₂
Molecular Mass
348.22818
Exact Mass
346.93567384
Charge
0
InChI
InChI=1S/C11H7Cl2N3O2S2/c12-7-1-3-8(4-2-7)15-20(17,18)10-9(13)14-11-16(10)5-6-19-11/h1-6,15H
InChIKey
DIKAKYDXNMWEPA-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2n(c1S(=O)(=O)Nc1ccc(cc1)Cl)ccs2
Isomeric Smiles
S(=O)(=O)(c1c(nc2n1ccs2)Cl)Nc1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
6.100596
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6654782
LogD (pH = 7.4)
1.8209342
Log P
2.7549
Molar Refractivity
90.2688
Polarizability
30.892582
Polar Surface Area
63.47
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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