Molecule

ID:95120

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FNO₂
Molecular Mass
183.1796032
Exact Mass
183.06955679
Charge
0
InChI
InChI=1S/C9H10FNO2/c10-7-3-1-2-4-8(7)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKey
DSLJQEDRQRYPQD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCNc1ccccc1F
Isomeric Smiles
OC(=O)CCNc1c(cccc1)F
Calculated Properties
JChem
Acid pKa
4.4835777
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.028150886
LogD (pH = 7.4)
-1.7261473
Log P
0.8765161
Molar Refractivity
47.2522
Polarizability
17.243073
Polar Surface Area
49.33
Rotatable Bonds
4
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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