Molecule

ID:79810

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆Cl₂N₂O₄S₂
Molecular Mass
377.22304
Exact Mass
375.91460404
Charge
0
InChI
InChI=1S/C12H6Cl2N2O4S2/c13-7-1-3-11(9(5-7)15(17)18)21-22-12-4-2-8(14)6-10(12)16(19)20/h1-6H
InChIKey
DESADCWXGJLRSR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)[N+](=O)[O-])SSc1ccc(cc1[N+](=O)[O-])Cl
Isomeric Smiles
[N+](=O)(c1cc(ccc1SSc1ccc(cc1[N+](=O)[O-])Cl)Cl)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.661803
LogD (pH = 7.4)
5.661803
Log P
5.661803
Molar Refractivity
86.7192
Polarizability
33.70635
Polar Surface Area
91.64
Rotatable Bonds
5
Lipinski's Rule of Five
false
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
References
Bioactivity
Navigation