Chemical ID: 4090450

c1ccc(cc1)C(=O)C(=Cc2ccc(cc2)OC(=O)c3cccc(c3)[N+](=O)[O-])C#N
Chemical ID:
4090450
Name [?]:
[4-(2-cyano-3-oxo-3-phenyl-prop-1-enyl)phenyl] 3-nitrobenzoate
SMILES [?]:
c1ccc(cc1)C(=O)C(=Cc2ccc(cc2)OC(=O)c3cccc(c3)[N+](=O)[O-])C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H14N2O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:7.01173
Area:633.878
Solvation:-8.83521
Coulombic:-44.6675
Bond Count [?]
All:32
Single:18
Double:13
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:398.368
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:5.34
LogP (Chemaxon):5.04

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