Molecule

ID:65838

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁F₂NO₂
Molecular Mass
263.2394464
Exact Mass
263.07578504
Charge
0
InChI
InChI=1S/C14H11F2NO2/c15-11-6-7-13(12(16)8-11)17-14(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKey
JSAYKGNHIVNWPQ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1F)F)OCc1ccccc1
Isomeric Smiles
c1c(c(ccc1F)NC(=O)OCc1ccccc1)F
Calculated Properties
JChem
Acid pKa
12.037859
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8401241
LogD (pH = 7.4)
3.8401148
Log P
3.8401244
Molar Refractivity
67.59
Polarizability
24.882864
Polar Surface Area
38.33
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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