Chemical ID: 5667339

CC[NH+](CC)CCN1C(C(=C(c2ccc(cc2)F)[O-])C(=O)C1=O)c3cccc(c3)OC
Chemical ID:
5667339
Name [?]:
[1-(2-diethylammonioethyl)-2-(3-methoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-fluorophenyl)-methanolate
SMILES [?]:
CC[NH+](CC)CCN1C(C(=C(c2ccc(cc2)F)[O-])C(=O)C1=O)c3cccc(c3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H27FN2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:-39.9533
Area:598.573
Solvation:-54.9176
Coulombic:-15.9651
Bond Count [?]
All:33
Single:24
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:426.481
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.33
LogP (Chemaxon):-0.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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