Molecule

ID:96609

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈F₃NO₂
Molecular Mass
255.1926296
Exact Mass
255.05071316
Charge
0
InChI
InChI=1S/C12H8F3NO2/c13-12(14,15)18-11-5-3-9(4-6-11)16-7-1-2-10(16)8-17/h1-8H
InChIKey
FXVABXRDJLSWJD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1c1ccc(cc1)OC(F)(F)F
Isomeric Smiles
n1(c2ccc(cc2)OC(F)(F)F)c(ccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.684
LogD (pH = 7.4)
3.684
Log P
3.684
Molar Refractivity
65.3422
Polarizability
22.01916
Polar Surface Area
31.23
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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