Molecule

ID:59031

General Information
Structure
Molecular Formula
C₁₄H₁₂F₃NO
Molecular Mass
267.2463896
Exact Mass
267.08709867
Charge
0
InChI
InChI=1S/C14H12F3NO/c1-9-6-11(8-19)10(2)18(9)13-5-3-4-12(7-13)14(15,16)17/h3-8H,1-2H3
InChIKey
JHWUPSAKKXZTKT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)c1cccc(c1)C(F)(F)F)C
Isomeric Smiles
n1(c(c(cc1C)C=O)C)c1cccc(c1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1491
LogD (pH = 7.4)
3.1491
Log P
3.1491
Molar Refractivity
78.6675
Polarizability
24.74725
Polar Surface Area
22.0
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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