Chemical ID: 4214789

CC1(OC(=O)C(=Cc2ccc(o2)[NH+]3CCCCC3)C(=O)O1)C
Chemical ID:
4214789
Name [?]:
2,2-dimethyl-5-[[5-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)-2-furyl]methylene]-1,3-dioxane-4,6-dione
SMILES [?]:
CC1(OC(=O)C(=Cc2ccc(o2)[NH+]3CCCCC3)C(=O)O1)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H20NO5+
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-18.4896
Area:480.088
Solvation:-30.4918
Coulombic:-14.5784
Bond Count [?]
All:24
Single:19
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:306.334
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.15
LogP (Chemaxon):2.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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