Molecule

ID:97890

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈F₃NO₃
Molecular Mass
269.2607296
Exact Mass
269.1238781
Charge
0
InChI
InChI=1S/C11H18F3NO3/c1-10(2,3)18-9(17)15-5-4-7(6-15)8(16)11(12,13)14/h7-8,16H,4-6H2,1-3H3
InChIKey
PFHVXOKWHVDZKH-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(C1)C(C(F)(F)F)O)OC(C)(C)C
Isomeric Smiles
N1(CCC(C1)C(O)C(F)(F)F)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
11.220593
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4808254
LogD (pH = 7.4)
1.4807607
Log P
1.4808263
Molar Refractivity
58.6513
Polarizability
22.317879
Polar Surface Area
49.77
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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