Molecule

ID:94492

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄Cl₃FN₂O
Molecular Mass
293.5089632
Exact Mass
291.93732402
Charge
0
InChI
InChI=1S/C10H4Cl3FN2O/c11-6-3-5(1-2-8(6)14)16-10(17)9(13)7(12)4-15-16/h1-4H
InChIKey
DPDKBLILZSKEND-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1F)n1ncc(c(c1=O)Cl)Cl
Isomeric Smiles
Fc1c(cc(cc1)n1ncc(c(c1=O)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3969798
LogD (pH = 7.4)
3.3969798
Log P
3.3969798
Molar Refractivity
65.239
Polarizability
24.183748
Polar Surface Area
32.67
Rotatable Bonds
1
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