Molecule

ID:95885

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClF₃N₂O₂
Molecular Mass
292.6416296
Exact Mass
292.02263985
Charge
0
InChI
InChI=1S/C11H8ClF3N2O2/c1-6(18)8(10(19)11(13,14)15)5-17-9-3-2-7(12)4-16-9/h2-5H,1H3,(H,16,17)
InChIKey
BSWSLZFANXAGCE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nc1)N/C=C(/C(=O)C(F)(F)F)\C(=O)C
Isomeric Smiles
n1c(ccc(c1)Cl)N/C=C(/C(=O)C(F)(F)F)\C(=O)C
Calculated Properties
JChem
Acid pKa
10.386956
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.7327805
LogD (pH = 7.4)
2.7360163
Log P
2.7364893
Molar Refractivity
64.4077
Polarizability
22.992311
Polar Surface Area
59.06
Rotatable Bonds
5
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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