Molecule

ID:95804

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄F₃NO₄
Molecular Mass
305.2497696
Exact Mass
305.08749259
Charge
0
InChI
InChI=1S/C13H14F3NO4/c1-3-20-11(18)10(12(19)21-4-2)9-6-5-8(7-17-9)13(14,15)16/h5-7,10H,3-4H2,1-2H3
InChIKey
LKTLPLGHHHQXTN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(c1ccc(cn1)C(F)(F)F)C(=O)OCC
Isomeric Smiles
n1c(ccc(c1)C(F)(F)F)C(C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
Acid pKa
-1.331402
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.2128334
LogD (pH = 7.4)
-0.85950506
Log P
-1.2129395
Molar Refractivity
66.1375
Polarizability
25.207956
Polar Surface Area
65.49
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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