Chemical ID: 5679864

CC[NH+](CC)CCN1C(C(=C(c2ccc(cc2)C)[O-])C(=O)C1=O)c3cccnc3
Chemical ID:
5679864
Name [?]:
[1-(2-diethylammonioethyl)-4,5-dioxo-2-(3-pyridyl)pyrrolidin-3-ylidene]-(p-tolyl)methanolate
SMILES [?]:
CC[NH+](CC)CCN1C(C(=C(c2ccc(cc2)C)[O-])C(=O)C1=O)c3cccnc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H27N3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:-39.47
Area:581.313
Solvation:-54.0028
Coulombic:-8.31052
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:393.479
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.44
LogP (Chemaxon):-1.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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