Molecule

ID:44204

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆F₃NO₃
Molecular Mass
257.1654496
Exact Mass
257.02997772
Charge
0
InChI
InChI=1S/C11H6F3NO3/c12-11(13,14)18-8-3-1-7(2-4-8)15-9(16)5-6-10(15)17/h1-6H
InChIKey
QNYNUXQOTWCDOQ-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(cc1)OC(F)(F)F
Isomeric Smiles
c1c(ccc(c1)OC(F)(F)F)N1C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6768422
LogD (pH = 7.4)
2.6768432
Log P
2.6768432
Molar Refractivity
51.096
Polarizability
20.05781
Polar Surface Area
46.61
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
No Data Available
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Molecule Details
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References
Bioactivity
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