Chemical ID: 5744413

Cc1cc(ccc1C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)c4ccc(cc4)O)[O-])OC
Chemical ID:
5744413
Name [?]:
[2-(4-hydroxyphenyl)-1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-methoxy-2-methyl-phenyl)-methanolate
SMILES [?]:
Cc1cc(ccc1C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)c4ccc(cc4)O)[O-])OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H28N2O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-42.9327
Area:633.737
Solvation:-58.7761
Coulombic:-30.5965
Bond Count [?]
All:36
Single:27
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:452.5
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:1.95
LogP (Chemaxon):0.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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