Chemical ID: 5706227

Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(c(c3)OC)O)[O-]
Chemical ID:
5706227
Name [?]:
[1-(3-dimethylammoniopropyl)-2-(4-hydroxy-3-methoxy-phenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-methoxy-3-methyl-phenyl)-methanolate
SMILES [?]:
Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(c(c3)OC)O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H30N2O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-45.1323
Area:646.49
Solvation:-61.2945
Coulombic:-31.3306
Bond Count [?]
All:35
Single:26
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:454.516
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.42
LogP (Chemaxon):-1.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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