Molecule

ID:95208

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆F₃NO₃
Molecular Mass
279.2555496
Exact Mass
279.10822804
Charge
0
InChI
InChI=1S/C12H16F3NO3/c1-2-19-11(18)9-3-6-16(7-4-9)8-5-10(17)12(13,14)15/h5,8-9H,2-4,6-7H2,1H3
InChIKey
FCYPINHJDOBNFS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)/C=C/C(=O)C(F)(F)F
Isomeric Smiles
N1(/C=C/C(=O)C(F)(F)F)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1182203
LogD (pH = 7.4)
2.1582146
Log P
2.158749
Molar Refractivity
63.4568
Polarizability
23.33177
Polar Surface Area
46.61
Rotatable Bonds
6
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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