Molecule

ID:96145

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄F₃NO₃
Molecular Mass
277.2396696
Exact Mass
277.09257797
Charge
0
InChI
InChI=1S/C12H14F3NO3/c1-2-3-7-18-11(17)9-5-4-6-16-10(9)19-8-12(13,14)15/h4-6H,2-3,7-8H2,1H3
InChIKey
DGHTXGFTNFSWIY-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)c1cccnc1OCC(F)(F)F
Isomeric Smiles
n1cccc(c1OCC(F)(F)F)C(=O)OCCCC
Calculated Properties
JChem
Acid pKa
19.825054
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4748101
LogD (pH = 7.4)
3.4748316
Log P
3.4748318
Molar Refractivity
62.0268
Polarizability
23.203852
Polar Surface Area
48.42
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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