Molecule

ID:93661

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁F₃N₂O₂
Molecular Mass
284.2338496
Exact Mass
284.07726226
Charge
0
InChI
InChI=1S/C13H11F3N2O2/c1-19-10-7-11(20-2)18-12(17-10)8-4-3-5-9(6-8)13(14,15)16/h3-7H,1-2H3
InChIKey
XZDOHPKJQRLGER-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)nc(n1)c1cccc(c1)C(F)(F)F
Isomeric Smiles
n1c(nc(cc1OC)OC)c1cccc(c1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.135957
LogD (pH = 7.4)
4.1369553
Log P
4.136968
Molar Refractivity
77.6605
Polarizability
24.98071
Polar Surface Area
44.24
Rotatable Bonds
4
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