Molecule

ID:30997

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆FNO₃
Molecular Mass
207.1579432
Exact Mass
207.03317128
Charge
0
InChI
InChI=1S/C10H6FNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
InChIKey
OFWUBERMKPVMCT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1onc(c1)C(=O)O
Isomeric Smiles
c1(noc(c1)c1ccc(cc1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9060092
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.49124864
LogD (pH = 7.4)
-1.1193237
Log P
2.091153
Molar Refractivity
49.6143
Polarizability
19.3307
Polar Surface Area
63.33
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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