Chemical ID: 5715979

CCOc1cc(ccc1O)C2C(=C(c3ccc(c(c3)C)OC)[O-])C(=O)C(=O)N2CC[NH+](C)C
Chemical ID:
5715979
Name [?]:
[1-(2-dimethylammonioethyl)-2-(3-ethoxy-4-hydroxy-phenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-methoxy-3-methyl-phenyl)-methanolate
SMILES [?]:
CCOc1cc(ccc1O)C2C(=C(c3ccc(c(c3)C)OC)[O-])C(=O)C(=O)N2CC[NH+](C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H30N2O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-42.5942
Area:676.258
Solvation:-59.5007
Coulombic:-32.6407
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:2.48
LogP (Chemaxon):-0.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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