Molecule

ID:56452

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂NOS
Molecular Mass
336.23564
Exact Mass
334.99384034
Charge
0
InChI
InChI=1S/C16H11Cl2NOS/c1-8-5-9(2)15-10(6-8)11(16(18)20)7-12(19-15)13-3-4-14(17)21-13/h3-7H,1-2H3
InChIKey
PUSZUOFFDAZFNJ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(cc(n2)c1ccc(s1)Cl)C(=O)Cl
Isomeric Smiles
n1c2c(c(cc1c1sc(cc1)Cl)C(=O)Cl)cc(cc2C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.92892
LogD (pH = 7.4)
5.9289203
Log P
5.9289203
Molar Refractivity
86.7952
Polarizability
35.7498
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
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Molecule Details
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References
Bioactivity
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