Chemical ID: 4421697

c1ccc(cc1)C(=O)C=Cc2ccccc2OC(=O)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
4421697
Name [?]:
[2-(3-oxo-3-phenyl-prop-1-enyl)phenyl] 3-nitrobenzoate
SMILES [?]:
c1ccc(cc1)C(=O)C=Cc2ccccc2OC(=O)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H15NO5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.31242
Area:592.662
Solvation:-8.50413
Coulombic:-42.2576
Bond Count [?]
All:30
Single:17
Double:13
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:373.358
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.12
LogP (Chemaxon):5.2

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