Molecule

ID:93558

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂FNO₃
Molecular Mass
225.2162832
Exact Mass
225.08012147
Charge
0
InChI
InChI=1S/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
InChIKey
NRLBRFQYMSTLJK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1ccc(cc1)F)NC(=O)C
Isomeric Smiles
N(C(C(=O)O)Cc1ccc(cc1)F)C(=O)C
Calculated Properties
JChem
Acid pKa
3.6376112
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.8198995
LogD (pH = 7.4)
-2.2903776
Log P
1.0391636
Molar Refractivity
54.7765
Polarizability
21.024902
Polar Surface Area
66.4
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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