Chemical ID: 5692728

C[NH+](C)CCCN1C(C(=C(c2ccncc2)[O-])C(=O)C1=O)c3ccc(cc3)F
Chemical ID:
5692728
Name [?]:
[1-(3-dimethylammoniopropyl)-2-(4-fluorophenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate
SMILES [?]:
C[NH+](C)CCCN1C(C(=C(c2ccncc2)[O-])C(=O)C1=O)c3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22FN3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:-44.0256
Area:562.673
Solvation:-58.0924
Coulombic:-10.3049
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:383.416
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.68
LogP (Chemaxon):-2.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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