Molecule

ID:121792

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆F₃NO₂
Molecular Mass
241.1660496
Exact Mass
241.0350631
Charge
0
InChI
InChI=1S/C11H6F3NO2/c12-11(13,14)7-3-1-2-4-8(7)15-9(16)5-6-10(15)17/h1-6H
InChIKey
ZDJBEIFRRVXFFW-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccccc1C(F)(F)F
Isomeric Smiles
N1(c2c(C(F)(F)F)cccc2)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1235788
LogD (pH = 7.4)
2.12358
Log P
2.12358
Molar Refractivity
53.9994
Polarizability
19.266623
Polar Surface Area
37.38
Rotatable Bonds
2
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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