Molecule

ID:96659

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀F₃NO₃
Molecular Mass
297.2293096
Exact Mass
297.06127785
Charge
0
InChI
InChI=1S/C14H10F3NO3/c15-14(16,17)11-6-7-13(18(20)8-11)21-9-12(19)10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
FLWQKBLUSQXBLH-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1cc(ccc1OCC(=O)c1ccccc1)C(F)(F)F
Isomeric Smiles
[n+]1(c(ccc(c1)C(F)(F)F)OCC(=O)c1ccccc1)[O-]
Calculated Properties
JChem
Acid pKa
16.407326
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.054694
LogD (pH = 7.4)
2.054694
Log P
2.054694
Molar Refractivity
69.151
Polarizability
25.130117
Polar Surface Area
51.76
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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