Molecule

ID:96503

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉F₂NO₃
Molecular Mass
289.2336664
Exact Mass
289.05504959
Charge
0
InChI
InChI=1S/C15H9F2NO3/c16-12-6-10(7-13(17)9-12)4-5-15(19)11-2-1-3-14(8-11)18(20)21/h1-9H
InChIKey
DFZDZKYUXKTEKK-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(/C=C/C(=O)c2cccc(c2)[N+](=O)[O-])cc(c1)F
Isomeric Smiles
[N+](=O)(c1cc(ccc1)C(=O)/C=C/c1cc(cc(c1)F)F)[O-]
Calculated Properties
JChem
Acid pKa
16.031849
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.1157136
LogD (pH = 7.4)
4.1157136
Log P
4.1157136
Molar Refractivity
74.6345
Polarizability
26.619064
Polar Surface Area
62.89
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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