Chemical ID: 5695684

CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)c4cccc(c4)OCC=C)[O-]
Chemical ID:
5695684
Name [?]:
[2-(3-allyloxyphenyl)-1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-ethoxyphenyl)-methanolate
SMILES [?]:
CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)c4cccc(c4)OCC=C)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H32N2O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:-41.7828
Area:696.371
Solvation:-59.1921
Coulombic:-25.0041
Bond Count [?]
All:39
Single:29
Double:10
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:492.564
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.88
LogP (Chemaxon):0.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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