Molecule
ID:124802
General Information
Molecular Formula
C₁₀H₉FN₄O₂
Molecular Mass
236.2024632
Exact Mass
236.07095377
Charge
0
InChI
InChI=1S/C10H9FN4O2/c11-5-1-3-6(4-2-5)15-8(13)7(12)9(16)14-10(15)17/h1-4H,12-13H2,(H,14,16,17)
InChIKey
SHAJZYJULWVCSW-UHFFFAOYSA-N
Canonic Smiles
Nc1n(c2ccc(cc2)F)c(=O)[nH]c(=O)c1N
Isomeric Smiles
n1(c(c(c(=O)[nH]c1=O)N)N)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
8.660713
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.21645674
LogD (pH = 7.4)
-0.23908396
Log P
-0.21615915
Molar Refractivity
67.4209
Polarizability
21.215708
Polar Surface Area
101.45
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
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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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