Molecule

ID:38025

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₄F₃N₃O₂
Molecular Mass
385.3392696
Exact Mass
385.10381136
Charge
0
InChI
InChI=1S/C20H14F3N3O2/c1-2-28-19(27)15-11-24-26-17(20(21,22)23)10-16(25-18(15)26)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3
InChIKey
OZCPXZZOCCLTPI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn2c1nc(cc2C(F)(F)F)c1cccc2c1cccc2
Isomeric Smiles
c12n(c(cc(n1)c1c3c(ccc1)cccc3)C(F)(F)F)ncc2C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.8336577
LogD (pH = 7.4)
4.8336596
Log P
4.8336596
Molar Refractivity
107.6131
Polarizability
38.056602
Polar Surface Area
56.49
Rotatable Bonds
5
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