Molecule
ID:124453
General Information
Molecular Formula
C₁₀H₇F₂N₃O₂
Molecular Mass
239.1782864
Exact Mass
239.05063292
Charge
0
InChI
InChI=1S/C10H7F2N3O2/c11-5-1-2-8(7(12)3-5)15-9(13)6(4-14-15)10(16)17/h1-4H,13H2,(H,16,17)
InChIKey
BMZMLHXRADPUBF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)n1ncc(c1N)C(=O)O
Isomeric Smiles
n1(c(c(cn1)C(=O)O)N)c1c(cc(cc1)F)F
Calculated Properties
JChem
Acid pKa
4.1045375
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.4865847
LogD (pH = 7.4)
-1.1940356
Log P
1.9124161
Molar Refractivity
56.0624
Polarizability
20.425827
Polar Surface Area
81.14
Rotatable Bonds
2
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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