Molecule

ID:41860

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂FNO₂
Molecular Mass
233.2382832
Exact Mass
233.08520685
Charge
0
InChI
InChI=1S/C13H12FNO2/c1-9-13(12(16)6-7-15-9)17-8-10-2-4-11(14)5-3-10/h2-7H,8H2,1H3,(H,15,16)
InChIKey
NRHARJZIGZSOEW-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]ccc(=O)c1OCc1ccc(cc1)F
Isomeric Smiles
c1(c([nH]ccc1=O)C)OCc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
9.37346
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2088861
LogD (pH = 7.4)
2.2046304
Log P
2.2090025
Molar Refractivity
64.9831
Polarizability
23.577784
Polar Surface Area
38.33
Rotatable Bonds
3
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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