Molecule

ID:57136

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂NOS
Molecular Mass
336.23564
Exact Mass
334.99384034
Charge
0
InChI
InChI=1S/C16H11Cl2NOS/c1-8-3-4-10-11(16(18)20)7-12(19-15(10)9(8)2)13-5-6-14(17)21-13/h3-7H,1-2H3
InChIKey
PJAWCNPKUFJAAQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(s1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)C
Isomeric Smiles
c1c(c(c2c(c1)c(cc(n2)c1ccc(s1)Cl)C(=O)Cl)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.9289193
LogD (pH = 7.4)
5.9289203
Log P
5.9289203
Molar Refractivity
86.7952
Polarizability
35.750202
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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