Molecule

ID:18732

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀F₃NO
Molecular Mass
157.1342096
Exact Mass
157.07144861
Charge
0
InChI
InChI=1S/C5H10F3NO/c1-10-3-2-9-4-5(6,7)8/h9H,2-4H2,1H3
InChIKey
SGCUTWAQDLODGV-UHFFFAOYSA-N
Canonic Smiles
COCCNCC(F)(F)F
Isomeric Smiles
C(F)(F)(F)CNCCOC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6383433
LogD (pH = 7.4)
0.71418434
Log P
0.71524227
Molar Refractivity
31.187
Polarizability
11.698836
Polar Surface Area
21.26
Rotatable Bonds
5
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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