Molecule

ID:8836

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃F₃N₂O₂
Molecular Mass
274.2390296
Exact Mass
274.09291233
Charge
0
InChI
InChI=1S/C12H13F3N2O2/c13-12(14,15)9-4-5-10(11(8-9)17(18)19)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2
InChIKey
ZKCJWUWQXSPDEO-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1N1CCCCC1)C(F)(F)F
Isomeric Smiles
c1(cc(ccc1N1CCCCC1)C(F)(F)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.74947
LogD (pH = 7.4)
3.7494884
Log P
3.7494886
Molar Refractivity
64.9228
Polarizability
23.06165
Polar Surface Area
46.38
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