Molecule

ID:18586

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆FNO₃
Molecular Mass
207.1579432
Exact Mass
207.03317128
Charge
0
InChI
InChI=1S/C10H6FNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14)
InChIKey
UFBUQALMQUCGQA-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)c1noc(c1)C(=O)O
Isomeric Smiles
c1(cc(no1)c1cc(F)ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9244096
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.4398417
LogD (pH = 7.4)
-1.3917581
Log P
2.091153
Molar Refractivity
49.6143
Polarizability
19.329292
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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