Molecule

ID:56491

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂NOS
Molecular Mass
336.23564
Exact Mass
334.99384034
Charge
0
InChI
InChI=1S/C16H11Cl2NOS/c1-8-5-11(9(2)21-8)15-7-13(16(18)20)12-6-10(17)3-4-14(12)19-15/h3-7H,1-2H3
InChIKey
PRRANPSNDKJSMW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(cc(n2)c1cc(sc1C)C)C(=O)Cl
Isomeric Smiles
c1(c2nc3c(c(c2)C(=O)Cl)cc(cc3)Cl)c(sc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.031096
LogD (pH = 7.4)
6.031097
Log P
6.031097
Molar Refractivity
87.8814
Polarizability
35.67773
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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