Molecule

ID:97344

General Information
Structure
MolImage
Molecular Formula
C₁₁H₅F₅N₂O₂
Molecular Mass
292.161616
Exact Mass
292.02711851
Charge
0
InChI
InChI=1S/C11H5F5N2O2/c1-18-2-4(17-3-18)11(19)20-10-8(15)6(13)5(12)7(14)9(10)16/h2-3H,1H3
InChIKey
IWTPHWSECNQILQ-UHFFFAOYSA-N
Canonic Smiles
Cn1cnc(c1)C(=O)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
Fc1c(c(c(c(c1F)OC(=O)c1cn(cn1)C)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6270967
LogD (pH = 7.4)
2.6390917
Log P
2.6392472
Molar Refractivity
56.4224
Polarizability
20.27876
Polar Surface Area
44.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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