Molecule

ID:44616

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄F₃NO₃
Molecular Mass
253.2182696
Exact Mass
253.09257797
Charge
0
InChI
InChI=1S/C10H14F3NO3/c1-2-17-9(16)8(15)14-5-3-7(4-6-14)10(11,12)13/h7H,2-6H2,1H3
InChIKey
JFUURBXVZYVUBJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)N1CCC(CC1)C(F)(F)F
Isomeric Smiles
C1CN(CCC1C(F)(F)F)C(=O)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5273728
LogD (pH = 7.4)
1.5273728
Log P
1.5273728
Molar Refractivity
53.1204
Polarizability
20.010384
Polar Surface Area
46.61
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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