Molecule

ID:53711

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁F₂NO₂
Molecular Mass
263.2394464
Exact Mass
263.07578504
Charge
0
InChI
InChI=1S/C14H11F2NO2/c15-10-6-7-11(17)13(16)12(10)14(18)19-8-9-4-2-1-3-5-9/h1-7H,8,17H2
InChIKey
DGBMWLIYOSBXKT-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(F)ccc(c1F)N)OCc1ccccc1
Isomeric Smiles
c1(c(c(ccc1F)N)F)C(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
18.226831
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.157656
LogD (pH = 7.4)
3.1576736
Log P
3.1576738
Molar Refractivity
67.8291
Polarizability
24.877028
Polar Surface Area
52.32
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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