Chemical ID: 5655631

CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(cc3)Cl)[O-]
Chemical ID:
5655631
Name [?]:
[2-(4-chlorophenyl)-1-(3-dimethylammoniopropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-propoxyphenyl)-methanolate
SMILES [?]:
CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(cc3)Cl)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29ClN2O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:-41.5108
Area:681.106
Solvation:-58.5385
Coulombic:-10.7478
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:456.962
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.08
LogP (Chemaxon):-0.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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