Molecule

ID:84422

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₂N₂OS₂
Molecular Mass
333.2566
Exact Mass
331.96116031
Charge
0
InChI
InChI=1S/C12H10Cl2N2OS2/c13-9(14)11-15-10(16-17-11)7-1-3-8(4-2-7)12-18-5-6-19-12/h1-4,9,12H,5-6H2
InChIKey
AWHOSLAORNIISD-UHFFFAOYSA-N
Canonic Smiles
ClC(c1onc(n1)c1ccc(cc1)C1SCCS1)Cl
Isomeric Smiles
n1c(onc1c1ccc(cc1)C1SCCS1)C(Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3670735
LogD (pH = 7.4)
4.3670735
Log P
4.3670735
Molar Refractivity
94.3851
Polarizability
32.18823
Polar Surface Area
38.92
Rotatable Bonds
3
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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