Molecule

ID:94217

General Information
Structure
MolImage
Molecular Formula
C₆HCl₃FNO₂
Molecular Mass
244.4350432
Exact Mass
242.90568954
Charge
0
InChI
InChI=1S/C6HCl3FNO2/c7-4-2(10)1-3(11(12)13)5(8)6(4)9/h1H
InChIKey
AMVKEEYBJIRRGV-UHFFFAOYSA-N
Canonic Smiles
Fc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl
Isomeric Smiles
[N+](=O)(c1c(c(c(c(c1)F)Cl)Cl)Cl)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.868066
LogD (pH = 7.4)
3.868066
Log P
3.868066
Molar Refractivity
48.0135
Polarizability
18.089102
Polar Surface Area
45.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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