Chemical ID: 5666854

CC[NH+](CC)CCCN1C(C(=C(c2ccccc2)[O-])C(=O)C1=O)c3ccc(cc3)N(=O)=O
Chemical ID:
5666854
Name [?]:
[1-(3-diethylammoniopropyl)-2-(4-nitrophenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-phenyl-methanolate
SMILES [?]:
CC[NH+](CC)CCCN1C(C(=C(c2ccccc2)[O-])C(=O)C1=O)c3ccc(cc3)N(=O)=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H27N3O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:-45.0388
Area:629.291
Solvation:-60.7711
Coulombic:-15.1643
Bond Count [?]
All:34
Single:23
Double:11
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:437.488
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.5
LogP (Chemaxon):-0.9

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