Molecule

ID:96569

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₃NO₂
Molecular Mass
229.1553496
Exact Mass
229.0350631
Charge
0
InChI
InChI=1S/C10H6F3NO2/c11-10(12,13)16-8-3-1-2-7(6-8)9-4-5-15-14-9/h1-6H
InChIKey
STSFJGNRFUHEED-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1cccc(c1)c1ccon1)(F)F
Isomeric Smiles
n1c(c2cc(ccc2)OC(F)(F)F)cco1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8019779
LogD (pH = 7.4)
3.8019786
Log P
3.8019786
Molar Refractivity
45.3345
Polarizability
19.111725
Polar Surface Area
35.26
Rotatable Bonds
3
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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