Molecule
ID:121781
General Information
Molecular Formula
C₁₂H₁₄F₃NO₄
Molecular Mass
293.2390696
Exact Mass
293.08749259
Charge
0
InChI
InChI=1S/C12H14F3NO4/c1-3-20-10(17)11(18,12(13,14)15)7-4-5-8(16)9(6-7)19-2/h4-6,18H,3,16H2,1-2H3
InChIKey
XBBBYKKTGGPDMR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(F)(F)F)(c1ccc(c(c1)OC)N)O
Isomeric Smiles
C(C(F)(F)F)(c1cc(c(cc1)N)OC)(C(=O)OCC)O
Calculated Properties
JChem
Acid pKa
8.426524
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.4328825
LogD (pH = 7.4)
1.4038618
Log P
1.4429946
Molar Refractivity
64.7999
Polarizability
24.108992
Polar Surface Area
81.78
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...