Chemical ID: 6910523

CC[NH+](CC)CCN1C(C(C(=O)C1=O)C(=O)c2ccncc2)c3ccc(cc3)Cl
Chemical ID:
6910523
Name [?]:
2-[2-(4-chlorophenyl)-4,5-dioxo-3-(4-pyridylcarbonyl)pyrrolidin-1-yl]ethyl-diethyl-ammonium
SMILES [?]:
CC[NH+](CC)CCN1C(C(C(=O)C1=O)C(=O)c2ccncc2)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H25ClN3O3+
All Atoms:54
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:-20.8812
Area:584.651
Solvation:-35.4975
Coulombic:-6.94086
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:414.905
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.08
LogP (Chemaxon):2.51

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Experimental Annotations

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Descriptor Annotations

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