Chemical ID: 5712077

CC[NH+](CC)CCN1C(C(=C(c2ccc(cc2)F)[O-])C(=O)C1=O)c3cccc(c3)OCC=C
Chemical ID:
5712077
Name [?]:
[2-(3-allyloxyphenyl)-1-(2-diethylammonioethyl)-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)OCC=C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H29FN2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-38.7225
Area:648.905
Solvation:-54.9452
Coulombic:-17.9529
Bond Count [?]
All:35
Single:25
Double:10
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:452.518
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.95
LogP (Chemaxon):0.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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