Chemical ID: 5696913

COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3ccc[nH+]c3)c4ccc(c(c4)OC)O)[O-]
Chemical ID:
5696913
Name [?]:
[2-(4-hydroxy-3-methoxy-phenyl)-4,5-dioxo-1-(1H-pyridin-5-ylmethyl)pyrrolidin-3-ylidene]-(4-methoxyphenyl)-methanolate
SMILES [?]:
COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3ccc[nH+]c3)c4ccc(c(c4)OC)O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22N2O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-42.9823
Area:588.019
Solvation:-57.6828
Coulombic:-57.7143
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:446.452
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.44
LogP (Chemaxon):1.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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