Molecule
ID:40625
General Information
Molecular Formula
C₁₄H₁₀FN₃O₃
Molecular Mass
287.2459032
Exact Mass
287.07061942
Charge
0
InChI
InChI=1S/C14H10FN3O3/c1-8-11(7-16)13(19)18(17-12(8)14(20)21-2)10-5-3-9(15)4-6-10/h3-6H,1-2H3
InChIKey
LQOZAFGJZXPNLQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nn(c2ccc(cc2)F)c(=O)c(c1C)C#N
Isomeric Smiles
c1(c(=O)n(nc(c1C)C(=O)OC)c1ccc(cc1)F)C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.2736695
LogD (pH = 7.4)
2.2736695
Log P
2.2736695
Molar Refractivity
71.3028
Polarizability
26.412441
Polar Surface Area
82.76
Rotatable Bonds
3
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
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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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