Molecule

ID:95209

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀F₃NO₃
Molecular Mass
283.2873096
Exact Mass
283.13952817
Charge
0
InChI
InChI=1S/C12H20F3NO3/c1-2-19-11(18)9-3-6-16(7-4-9)8-5-10(17)12(13,14)15/h9-10,17H,2-8H2,1H3
InChIKey
YBEWSDMAHZCIDN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)CCC(C(F)(F)F)O
Isomeric Smiles
N1(CCC(C(F)(F)F)O)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
Acid pKa
11.366722
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.96537596
LogD (pH = 7.4)
0.71916395
Log P
1.1507032
Molar Refractivity
64.1657
Polarizability
24.45744
Polar Surface Area
49.77
Rotatable Bonds
7
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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