Molecule

ID:83062

General Information
Structure
Molecular Formula
C₆Cl₄N₂O₄
Molecular Mass
305.8872
Exact Mass
303.86121721
Charge
0
InChI
InChI=1S/C6Cl4N2O4/c7-1-2(8)4(10)6(12(15)16)5(3(1)9)11(13)14
InChIKey
XDIPOBQVBXLETD-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c([N+](=O)[O-])c(Cl)c(c(c1Cl)Cl)Cl
Isomeric Smiles
[N+](=O)(c1c(c(c(c(c1Cl)Cl)Cl)Cl)[N+](=O)[O-])[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.269393
LogD (pH = 7.4)
4.269393
Log P
4.269393
Molar Refractivity
59.9266
Polarizability
22.392866
Polar Surface Area
91.64
Rotatable Bonds
2
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