Chemical ID: 5694172

CC[NH+](CC)CCN1C(C(=C(c2ccc(cc2)F)[O-])C(=O)C1=O)c3cc(ccc3OC)OC
Chemical ID:
5694172
Name [?]:
[1-(2-diethylammonioethyl)-2-(2,5-dimethoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-fluorophenyl)-methanolate
SMILES [?]:
CC[NH+](CC)CCN1C(C(=C(c2ccc(cc2)F)[O-])C(=O)C1=O)c3cc(ccc3OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29FN2O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-39.7554
Area:625.471
Solvation:-55.3921
Coulombic:-22.7486
Bond Count [?]
All:35
Single:26
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:456.507
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.24
LogP (Chemaxon):-0.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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