Molecule

ID:63704

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈F₃NO₃
Molecular Mass
281.2714296
Exact Mass
281.1238781
Charge
0
InChI
InChI=1S/C12H18F3NO3/c1-11(2,3)19-10(18)16-6-4-8(5-7-16)9(17)12(13,14)15/h8H,4-7H2,1-3H3
InChIKey
DKGLHGUIKUSWSB-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)C(=O)C(F)(F)F)OC(C)(C)C
Isomeric Smiles
C1CC(C(=O)C(F)(F)F)CCN1C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.426949
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6253793
LogD (pH = 7.4)
2.625379
Log P
2.6253793
Molar Refractivity
62.6317
Polarizability
23.587786
Polar Surface Area
46.61
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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