Molecule

ID:95204

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀F₃NO₂
Molecular Mass
209.1657096
Exact Mass
209.06636323
Charge
0
InChI
InChI=1S/C8H10F3NO2/c9-8(10,11)7(13)1-2-12-3-5-14-6-4-12/h1-2H,3-6H2
InChIKey
DETJJQQORWTESV-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)/C=C/N1CCOCC1
Isomeric Smiles
N1(/C=C/C(=O)C(F)(F)F)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3625729
LogD (pH = 7.4)
1.3644124
Log P
1.3644359
Molar Refractivity
44.6317
Polarizability
15.9811325
Polar Surface Area
29.54
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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