Molecule

ID:95403

General Information
Structure
Molecular Formula
C₁₄H₁₁Cl₂FO₂S
Molecular Mass
333.2053432
Exact Mass
331.98408417
Charge
0
InChI
InChI=1S/C14H11Cl2FO2S/c15-12-8-11(6-7-14(12)17)20(18,19)9-13(16)10-4-2-1-3-5-10/h1-8,13H,9H2
InChIKey
ZJBXMTBRZXTWJA-UHFFFAOYSA-N
Canonic Smiles
ClC(c1ccccc1)CS(=O)(=O)c1ccc(c(c1)Cl)F
Isomeric Smiles
S(=O)(=O)(c1ccc(c(c1)Cl)F)CC(c1ccccc1)Cl
Calculated Properties
JChem
Acid pKa
18.945215
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.16122
LogD (pH = 7.4)
4.16122
Log P
4.16122
Molar Refractivity
78.2123
Polarizability
31.211815
Polar Surface Area
34.14
Rotatable Bonds
4
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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