Molecule

ID:43649

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅F₃N₂O₄
Molecular Mass
308.2537096
Exact Mass
308.09839163
Charge
0
InChI
InChI=1S/C12H15F3N2O4/c1-5-20-9(18)7-6-16-17(8(7)12(13,14)15)10(19)21-11(2,3)4/h6H,5H2,1-4H3
InChIKey
MZCLFOQOMWOWSC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn(c1C(F)(F)F)C(=O)OC(C)(C)C
Isomeric Smiles
c1c(c(n(n1)C(=O)OC(C)(C)C)C(F)(F)F)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4286242
LogD (pH = 7.4)
2.4286242
Log P
2.4286242
Molar Refractivity
67.07
Polarizability
24.834972
Polar Surface Area
70.42
Rotatable Bonds
6
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
暂无数据
点击上传数据
References
Bioactivity
Navigation