Chemical ID: 5671334

C=CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3ccc[nH+]c3)c4cccnc4)[O-]
Chemical ID:
5671334
Name [?]:
(4-allyloxyphenyl)-[4,5-dioxo-1-(1H-pyridin-5-ylmethyl)-2-(3-pyridyl)pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
C=CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3ccc[nH+]c3)c4cccnc4)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H21N3O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:-41.7607
Area:602.224
Solvation:-56.8164
Coulombic:-39.8595
Bond Count [?]
All:35
Single:22
Double:13
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:427.452
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.29
LogP (Chemaxon):0.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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