Molecule

ID:95637

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀Cl₂FNOS
Molecular Mass
352.2948032
Exact Mass
351.06266885
Charge
0
InChI
InChI=1S/C15H20Cl2FNOS/c16-8-3-1-2-7-15(20)19-9-10-21-11-12-13(17)5-4-6-14(12)18/h4-6H,1-3,7-11H2,(H,19,20)
InChIKey
PUGJCSCKKHTNAK-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCC(=O)NCCSCc1c(F)cccc1Cl
Isomeric Smiles
O=C(NCCSCc1c(cccc1Cl)F)CCCCCCl
Calculated Properties
JChem
Acid pKa
13.913386
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.305353
LogD (pH = 7.4)
4.3053536
Log P
4.3053536
Molar Refractivity
89.5811
Polarizability
34.585094
Polar Surface Area
29.1
Rotatable Bonds
10
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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