Molecule

ID:22169

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅F₃N₂O₄
Molecular Mass
332.2751096
Exact Mass
332.09839163
Charge
0
InChI
InChI=1S/C14H15F3N2O4/c15-14(16,17)10-1-2-11(12(9-10)19(20)21)18-5-3-13(4-6-18)22-7-8-23-13/h1-2,9H,3-8H2
InChIKey
HRGPJHCEEHVJCM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1N1CCC2(CC1)OCCO2)C(F)(F)F
Isomeric Smiles
c1c(ccc(c1[N+](=O)[O-])N1CCC2(CC1)OCCO2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.562909
LogD (pH = 7.4)
3.5629127
Log P
3.5629127
Molar Refractivity
75.6828
Polarizability
27.533962
Polar Surface Area
67.52
Rotatable Bonds
3
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