Chemical ID: 5658628

CC(C)Oc1ccc(cc1)C2C(=C(c3ccc(cc3)F)[O-])C(=O)C(=O)N2CCC[NH+](C)C
Chemical ID:
5658628
Name [?]:
[1-(3-dimethylammoniopropyl)-2-(4-isopropoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-fluorophenyl)-methanolate
SMILES [?]:
CC(C)Oc1ccc(cc1)C2C(=C(c3ccc(cc3)F)[O-])C(=O)C(=O)N2CCC[NH+](C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29FN2O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:-43.2981
Area:666.621
Solvation:-59.9636
Coulombic:-13.1022
Bond Count [?]
All:34
Single:25
Double:9
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:440.507
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.72
LogP (Chemaxon):-0.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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