Molecule

ID:95607

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₃FN₃O
Molecular Mass
308.5236032
Exact Mass
306.94822306
Charge
0
InChI
InChI=1S/C10H5Cl3FN3O/c11-8(12)9(13)17-10(18)16-7-3-1-2-6(14)5(7)4-15/h1-3H,(H2,16,17,18)
InChIKey
SYYKPXBKWQUIPZ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cccc1F)NC(=O)NC(=C(Cl)Cl)Cl
Isomeric Smiles
N(C(=C(Cl)Cl)Cl)C(=O)Nc1c(c(ccc1)F)C#N
Calculated Properties
JChem
Acid pKa
11.280746
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.170298
LogD (pH = 7.4)
3.170246
Log P
3.1702988
Molar Refractivity
89.3744
Polarizability
25.310219
Polar Surface Area
64.92
Rotatable Bonds
2
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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