Molecule

ID:38524

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆F₃NO₄
Molecular Mass
271.2335496
Exact Mass
271.10314266
Charge
0
InChI
InChI=1S/C10H16F3NO4/c1-5(10(11,12)13)6(7(15)16)14-8(17)18-9(2,3)4/h5-6H,1-4H3,(H,14,17)(H,15,16)
InChIKey
URADCGNNXPUQAP-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC(C(C(F)(F)F)C)C(=O)O
Isomeric Smiles
C(C(C)C(F)(F)F)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.8835828
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.35148522
LogD (pH = 7.4)
-1.2774972
Log P
1.9737009
Molar Refractivity
55.1468
Polarizability
21.264326
Polar Surface Area
75.63
Rotatable Bonds
6
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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