Chemical ID: 4086426

Cc1ccc(cc1I)N2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-]
Chemical ID:
4086426
Name [?]:
2-(3-iodo-4-methyl-phenyl)-5-nitro-isoindoline-1,3-dione
SMILES [?]:
Cc1ccc(cc1I)N2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H9IN2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:4.28388
Area:494.239
Solvation:-8.07209
Coulombic:-35.9664
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:408.148
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.76
LogP (Chemaxon):3.72

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