Molecule

ID:115018

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FN₂O₃
Molecular Mass
222.1725832
Exact Mass
222.04407031
Charge
0
InChI
InChI=1S/C10H7FN2O3/c11-6-1-3-7(4-2-6)13-9(14)5-8(12-13)10(15)16/h1-5,12H,(H,15,16)
InChIKey
VJEBXHBTKLPUQG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)n1[nH]c(cc1=O)C(=O)O
Isomeric Smiles
c1([nH]n(c(=O)c1)c1ccc(cc1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
2.6974208
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4652337
LogD (pH = 7.4)
-1.6266395
Log P
0.8451335
Molar Refractivity
63.8376
Polarizability
19.410759
Polar Surface Area
69.64
Rotatable Bonds
2
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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