Molecule

ID:86736

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂Cl₂N₄O₂S
Molecular Mass
347.22028
Exact Mass
346.005802
Charge
0
InChI
InChI=1S/C12H12Cl2N4O2S/c1-3-20-10(19)6-21-12-17-16-11(18(12)2)7-4-8(13)15-9(14)5-7/h4-5H,3,6H2,1-2H3
InChIKey
JOLMLGFTFRVDKK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CSc1nnc(n1C)c1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1(c(nnc1SCC(=O)OCC)c1cc(nc(c1)Cl)Cl)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5553222
LogD (pH = 7.4)
2.5553598
Log P
2.5553603
Molar Refractivity
96.7847
Polarizability
32.5916
Polar Surface Area
69.9
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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