Molecule

ID:11952

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀FNO₂
Molecular Mass
231.2224032
Exact Mass
231.06955679
Charge
0
InChI
InChI=1S/C13H10FNO2/c14-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)
InChIKey
YQDLBCADRCGKQK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Nc1ccccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(Nc2ccc(cc2)F)cccc1)O
Calculated Properties
JChem
Acid pKa
3.8893702
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.8972876
LogD (pH = 7.4)
1.294289
Log P
4.5134563
Molar Refractivity
62.0168
Polarizability
23.062683
Polar Surface Area
49.33
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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