Chemical ID: 5692110

CC[NH+](CC)CCN1C(C(=C(c2ccc(cc2)F)[O-])C(=O)C1=O)c3ccc(cc3)Cl
Chemical ID:
5692110
Name [?]:
[2-(4-chlorophenyl)-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)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H24ClFN2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:-38.344
Area:599.421
Solvation:-53.3295
Coulombic:-10.0686
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:430.899
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.04
LogP (Chemaxon):0.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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