Molecule

ID:96599

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₂N₂O₄
Molecular Mass
272.2049064
Exact Mass
272.06086325
Charge
0
InChI
InChI=1S/C11H10F2N2O4/c12-7-1-2-8(15(17)18)10(13)9(7)11(16)14-3-5-19-6-4-14/h1-2H,3-6H2
InChIKey
KRZCXYNWMQWJJY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1C(=O)N1CCOCC1)F)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(c(c(cc1)F)C(=O)N1CCOCC1)F)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2781259
LogD (pH = 7.4)
1.2781259
Log P
1.2781259
Molar Refractivity
61.7618
Polarizability
22.103056
Polar Surface Area
75.36
Rotatable Bonds
2
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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