Molecule
ID:124805
General Information
Molecular Formula
C₁₀H₇FN₄O₃
Molecular Mass
250.1859832
Exact Mass
250.05021832
Charge
0
InChI
InChI=1S/C10H7FN4O3/c11-5-1-3-6(4-2-5)15-8(12)7(14-18)9(16)13-10(15)17/h1-4H,12H2,(H,13,16,17)
InChIKey
DDAVTPYNRLKORQ-UHFFFAOYSA-N
Canonic Smiles
O=Nc1c(=O)[nH]c(=O)n(c1N)c1ccc(cc1)F
Isomeric Smiles
n1(c(c(c(=O)[nH]c1=O)N=O)N)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
8.316523
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.36775097
LogD (pH = 7.4)
0.319325
Log P
0.36840555
Molar Refractivity
67.3417
Polarizability
21.235054
Polar Surface Area
104.86
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
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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