Molecule

ID:95666

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₂NO₃
Molecular Mass
229.1801664
Exact Mass
229.05504959
Charge
0
InChI
InChI=1S/C10H9F2NO3/c1-2-16-10(15)9(14)13-8-6(11)4-3-5-7(8)12/h3-5H,2H2,1H3,(H,13,14)
InChIKey
GWHFTPUKLJFLLU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)Nc1c(F)cccc1F
Isomeric Smiles
N(c1c(cccc1F)F)C(=O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
9.006774
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1918612
LogD (pH = 7.4)
2.1819148
Log P
2.1919897
Molar Refractivity
52.6664
Polarizability
19.254862
Polar Surface Area
55.4
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
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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