Molecule

ID:37517

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂F₃NO₃
Molecular Mass
345.3566896
Exact Mass
345.15517823
Charge
0
InChI
InChI=1S/C17H22F3NO3/c1-16(2,3)24-15(23)21-8-11(10-22)13(9-21)12-6-4-5-7-14(12)17(18,19)20/h4-7,11,13,22H,8-10H2,1-3H3/t11-,13+/m0/s1
InChIKey
YLLMJWZDOOUCRJ-WCQYABFASA-N
Canonic Smiles
OC[C@@H]1CN(C[C@H]1c1ccccc1C(F)(F)F)C(=O)OC(C)(C)C
Isomeric Smiles
C1[C@H]([C@@H](CN1C(=O)OC(C)(C)C)CO)c1c(cccc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.408241
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8425882
LogD (pH = 7.4)
2.8425882
Log P
2.8425882
Molar Refractivity
84.0713
Polarizability
31.669054
Polar Surface Area
49.77
Rotatable Bonds
5
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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