Molecule

ID:95702

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₃FN₂O₂S
Molecular Mass
393.6479232
Exact Mass
391.93560977
Charge
0
InChI
InChI=1S/C14H8Cl3FN2O2S/c15-10(12(16)17)14(22)20-8-5-9(23-11(8)13(19)21)6-1-3-7(18)4-2-6/h1-5H,(H2,19,21)(H,20,22)
InChIKey
MZGRFVSMCIHHAG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1cc(c(s1)C(=O)N)NC(=O)C(=C(Cl)Cl)Cl
Isomeric Smiles
s1c(c(cc1c1ccc(cc1)F)NC(=O)C(=C(Cl)Cl)Cl)C(=O)N
Calculated Properties
JChem
Acid pKa
11.0711355
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.3106837
LogD (pH = 7.4)
4.3105974
Log P
4.310685
Molar Refractivity
101.8646
Polarizability
34.68437
Polar Surface Area
72.19
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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