Molecule

ID:20188

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂F₃N₂O₂
Molecular Mass
363.2033696
Exact Mass
362.07756788
Charge
0
InChI
InChI=1S/C13H17F3N2O2.2ClH/c14-13(15,16)11-9-10(17)1-2-12(11)20-8-5-18-3-6-19-7-4-18;;/h1-2,9H,3-8,17H2;2*1H
InChIKey
LVGYZDRGPROQOW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)OCCN1CCOCC1.Cl.Cl
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)N)OCCN1CCOCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.60982734
LogD (pH = 7.4)
1.6123754
Log P
1.6646411
Molar Refractivity
70.2889
Polarizability
25.836752
Polar Surface Area
47.72
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