Molecule

ID:43688

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClF₃N₂O₂
Molecular Mass
282.6468096
Exact Mass
282.03828991
Charge
0
InChI
InChI=1S/C10H10ClF3N2O2/c11-5-6-15-9(17)16-7-1-3-8(4-2-7)18-10(12,13)14/h1-4H,5-6H2,(H2,15,16,17)
InChIKey
INDNESARYZABGU-UHFFFAOYSA-N
Canonic Smiles
ClCCNC(=O)Nc1ccc(cc1)OC(F)(F)F
Isomeric Smiles
c1c(ccc(c1)NC(=O)NCCCl)OC(F)(F)F
Calculated Properties
JChem
Acid pKa
13.917953
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1966882
LogD (pH = 7.4)
3.196688
Log P
3.1966882
Molar Refractivity
56.908
Polarizability
22.136763
Polar Surface Area
50.36
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