Chemical ID: 4466542

COC(=O)c1ccc(c(c1)NC(=O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-])C(=O)OC
Chemical ID:
4466542
Name [?]:
dimethyl 2-[[5-(3-nitrophenyl)-2-furyl]carbonylamino]benzene-1,4-dicarboxylate
SMILES [?]:
COC(=O)c1ccc(c(c1)NC(=O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-])C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H16N2O8
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:6.90086
Area:658.327
Solvation:-9.55732
Coulombic:-81.1695
Bond Count [?]
All:33
Single:21
Double:12
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:424.36
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.72
LogP (Chemaxon):3.2

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