Molecule

ID:10284

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)15-8-3-1-7(2-4-8)9-5-6-14-16-9/h1-6H
InChIKey
FUAQWIIUKPAQPK-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)c1ccno1)(F)F
Isomeric Smiles
c1cc(on1)c1ccc(cc1)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3361266
LogD (pH = 7.4)
3.3361292
Log P
3.3361292
Molar Refractivity
45.584
Polarizability
19.112276
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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