Molecule
ID:124231
General Information
Molecular Formula
C₁₀H₅F₂NO₃
Molecular Mass
225.1484064
Exact Mass
225.02374947
Charge
0
InChI
InChI=1S/C10H5F2NO3/c11-4-1-5-8(7(12)2-4)13-3-6(9(5)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey
SUJKVJSPRDGSJX-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c2c(c1)c(O)c(cn2)C(=O)O
Isomeric Smiles
c12c(c(C(=O)O)cnc1c(cc(c2)F)F)O
Calculated Properties
JChem
Acid pKa
3.4499016
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.3804728
LogD (pH = 7.4)
-0.969446
Log P
2.420322
Molar Refractivity
49.6492
Polarizability
19.38107
Polar Surface Area
70.42
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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