Molecule

ID:100820

General Information
Structure
MolImage
Molecular Formula
C₇H₂ClF₃N₂O₄
Molecular Mass
270.5499896
Exact Mass
269.96551889
Charge
0
InChI
InChI=1S/C7H2ClF3N2O4/c8-3-1-2-4(12(14)15)5(7(9,10)11)6(3)13(16)17/h1-2H
InChIKey
FAFVUUKOJIVNBX-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1C(F)(F)F)[N+](=O)[O-])Cl
Isomeric Smiles
FC(c1c(c(ccc1[N+](=O)[O-])Cl)[N+](=O)[O-])(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.3351073
LogD (pH = 7.4)
3.3351073
Log P
3.3351073
Molar Refractivity
51.4859
Polarizability
17.892881
Polar Surface Area
91.64
Rotatable Bonds
3
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