Chemical ID: 4302462

c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NN2C(=O)c3c(c(c(c(c3Cl)Cl)Cl)Cl)C2=O
Chemical ID:
4302462
Name [?]:
4,5,6,7-tetrachloro-2-(2,4-dinitrophenyl)amino-isoindoline-1,3-dione
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NN2C(=O)c3c(c(c(c(c3Cl)Cl)Cl)Cl)C2=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H4Cl4N4O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:-0.822717
Area:601.979
Solvation:-15.8722
Coulombic:-46.8729
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:466.016
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:5.93
LogP (Chemaxon):4.92

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue