Molecule

ID:41644

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅FN₄O₂
Molecular Mass
232.1707032
Exact Mass
232.03965364
Charge
0
InChI
InChI=1S/C10H5FN4O2/c11-6-1-3-7(4-2-6)15-10(17)13-9(16)8(5-12)14-15/h1-4H,(H,13,16,17)
InChIKey
ISWRTNVTUXQOIZ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nn(c2ccc(cc2)F)c(=O)[nH]c1=O
Isomeric Smiles
n1n(c(=O)[nH]c(=O)c1C#N)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.0216315
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.48943126
LogD (pH = 7.4)
-0.597498
Log P
1.3438741
Molar Refractivity
54.1765
Polarizability
19.813955
Polar Surface Area
85.56
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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