Molecule

ID:94023

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂F₃NO
Molecular Mass
219.2035896
Exact Mass
219.08709867
Charge
0
InChI
InChI=1S/C10H12F3NO/c1-14(2)7-8-5-3-4-6-9(8)15-10(11,12)13/h3-6H,7H2,1-2H3
InChIKey
NFYYZWZENHFMOJ-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1ccccc1OC(F)(F)F)C
Isomeric Smiles
N(Cc1ccccc1OC(F)(F)F)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8665992
LogD (pH = 7.4)
2.6320841
Log P
3.3457541
Molar Refractivity
47.671
Polarizability
19.175924
Polar Surface Area
12.47
Rotatable Bonds
4
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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