Molecule

ID:36577

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₂N₂O₂S₂
Molecular Mass
335.22942
Exact Mass
333.94042487
Charge
0
InChI
InChI=1S/C11H8Cl2N2O2S2/c12-5-2-1-3-6(9(5)13)14-8(16)4-7-10(17)15-11(18)19-7/h1-3,7H,4H2,(H,14,16)(H,15,17,18)
InChIKey
SOWUHTJPUNGRDX-UHFFFAOYSA-N
Canonic Smiles
SC1=NC(=O)C(S1)CC(=O)Nc1cccc(c1Cl)Cl
Isomeric Smiles
N1=C(SC(C1=O)CC(=O)Nc1c(c(Cl)ccc1)Cl)S
Calculated Properties
JChem
Acid pKa
5.5589232
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.9264777
LogD (pH = 7.4)
2.1014066
Log P
3.1725945
Molar Refractivity
80.4045
Polarizability
30.893959
Polar Surface Area
58.53
Rotatable Bonds
3
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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