Molecule

ID:39596

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉F₂NO₃
Molecular Mass
265.2122664
Exact Mass
265.05504959
Charge
0
InChI
InChI=1S/C13H9F2NO3/c14-10-3-1-8(5-11(10)15)6-16-7-9(13(18)19)2-4-12(16)17/h1-5,7H,6H2,(H,18,19)
InChIKey
OQDASTILPYZJIH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(=O)n(c1)Cc1ccc(c(c1)F)F
Isomeric Smiles
c1(cn(c(=O)cc1)Cc1cc(c(cc1)F)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1554193
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6335876
LogD (pH = 7.4)
-1.7674915
Log P
1.6854688
Molar Refractivity
63.9866
Polarizability
23.247322
Polar Surface Area
57.61
Rotatable Bonds
3
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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