Molecule

ID:51586

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FN₂O₃
Molecular Mass
240.2309232
Exact Mass
240.09102051
Charge
0
InChI
InChI=1S/C11H13FN2O3/c1-11(2,3)10(17)14-8-7(9(15)16)4-6(12)5-13-8/h4-5H,1-3H3,(H,15,16)(H,13,14,17)
InChIKey
YEIHHQAWOHUOPF-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)C(=O)O)NC(=O)C(C)(C)C
Isomeric Smiles
c1(cnc(c(c1)C(=O)O)NC(=O)C(C)(C)C)F
Calculated Properties
JChem
Acid pKa
3.888142
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.2202003
LogD (pH = 7.4)
-0.38224447
Log P
2.8375626
Molar Refractivity
60.2526
Polarizability
21.984285
Polar Surface Area
79.29
Rotatable Bonds
3
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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