Molecule

ID:50223

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FN₂O₂
Molecular Mass
206.1731832
Exact Mass
206.04915569
Charge
0
InChI
InChI=1S/C10H7FN2O2/c11-8-4-1-3-7(10(14)15)9(8)13-6-2-5-12-13/h1-6H,(H,14,15)
InChIKey
WHPUSKHJEBOLKR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1n1cccn1)F
Isomeric Smiles
c1(c(n2nccc2)c(F)ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1170413
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.517163
LogD (pH = 7.4)
-1.6029979
Log P
1.6775697
Molar Refractivity
51.8923
Polarizability
19.461739
Polar Surface Area
55.12
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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