Molecule

ID:20174

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂F₃N₂O
Molecular Mass
321.1666896
Exact Mass
320.06700319
Charge
0
InChI
InChI=1S/C11H15F3N2O.2ClH/c1-16(2)5-6-17-10-4-3-8(15)7-9(10)11(12,13)14;;/h3-4,7H,5-6,15H2,1-2H3;2*1H
InChIKey
YKWDMJCDXQYEIO-UHFFFAOYSA-N
Canonic Smiles
CN(CCOc1ccc(cc1C(F)(F)F)N)C.Cl.Cl
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)N)OCCN(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.204947
LogD (pH = 7.4)
0.49293596
Log P
1.8831416
Molar Refractivity
61.2144
Polarizability
22.14529
Polar Surface Area
38.49
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