Molecule

ID:90270

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂N₂O₄
Molecular Mass
236.99708
Exact Mass
235.93916191
Charge
0
InChI
InChI=1S/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
InChIKey
ZPXDNSYFDIHPOJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(cc1[N+](=O)[O-])[N+](=O)[O-]
Isomeric Smiles
Clc1c(cc(c(c1)Cl)[N+](=O)[O-])[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
17.897081
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.0613036
LogD (pH = 7.4)
3.0613036
Log P
3.0613036
Molar Refractivity
48.3086
Polarizability
18.288477
Polar Surface Area
86.28
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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