Molecule

ID:59662

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)6-8-3-2-4-9(12)5-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
InChIKey
LKXNJLVPYPXTDY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NC(C(=O)O)Cc1cccc(c1)F
Isomeric Smiles
C(C(=O)O)(NC(=O)C)Cc1cc(F)ccc1
Calculated Properties
JChem
Acid pKa
3.6376777
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.81983805
LogD (pH = 7.4)
-2.2903543
Log P
1.0391636
Molar Refractivity
54.7765
Polarizability
21.024893
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation