Molecule

ID:93239

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀F₃NO₃
Molecular Mass
285.2186096
Exact Mass
285.06127785
Charge
0
InChI
InChI=1S/C13H10F3NO3/c1-7-10(12(18)19-2)11(20-17-7)8-3-5-9(6-4-8)13(14,15)16/h3-6H,1-2H3
InChIKey
JFXVMJOLMJJRDX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(C)noc1c1ccc(cc1)C(F)(F)F
Isomeric Smiles
n1c(c(c(c2ccc(cc2)C(F)(F)F)o1)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.91771
LogD (pH = 7.4)
2.9177132
Log P
2.9177134
Molar Refractivity
65.1042
Polarizability
24.621593
Polar Surface Area
52.33
Rotatable Bonds
4
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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