Chemical ID: 5663450

C[NH+](C)CCN1C(C(=C(c2ccc(cc2)OCC=C)[O-])C(=O)C1=O)c3ccc(cc3)N(=O)=O
Chemical ID:
5663450
Name [?]:
(4-allyloxyphenyl)-[1-(2-dimethylammonioethyl)-2-(4-nitrophenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
C[NH+](C)CCN1C(C(=C(c2ccc(cc2)OCC=C)[O-])C(=O)C1=O)c3ccc(cc3)N(=O)=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H25N3O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-46.2816
Area:664.784
Solvation:-62.9012
Coulombic:-22.8479
Bond Count [?]
All:35
Single:23
Double:12
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:451.472
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.83
LogP (Chemaxon):-0.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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