Molecule

ID:99253

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀F₃NO₂
Molecular Mass
269.2192096
Exact Mass
269.06636323
Charge
0
InChI
InChI=1S/C13H10F3NO2/c14-13(15,16)8-4-7-10-12(18)19-11(17-10)9-5-2-1-3-6-9/h1-3,5-7H,4,8H2
InChIKey
OJJSTRZOZBZXMV-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=N/C/1=C\CCC(F)(F)F)c1ccccc1
Isomeric Smiles
FC(F)(F)CC/C=C\1/C(=O)OC(=N1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.703173
LogD (pH = 7.4)
3.7031732
Log P
3.7031732
Molar Refractivity
63.7189
Polarizability
23.064684
Polar Surface Area
38.66
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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