Molecule

ID:43950

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂N₂O₂S
Molecular Mass
289.13784
Exact Mass
287.9527038
Charge
0
InChI
InChI=1S/C10H6Cl2N2O2S/c11-6-2-1-5(3-7(6)12)13-10-14-8(4-17-10)9(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKey
AWSZMFQURKXDAR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1csc(n1)Nc1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1(nc(sc1)Nc1cc(c(cc1)Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9252949
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.4229271
LogD (pH = 7.4)
0.80552673
Log P
4.007737
Molar Refractivity
65.7197
Polarizability
25.147844
Polar Surface Area
62.22
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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