Chemical ID: 5672880

Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)c4cccc(c4)Oc5ccccc5)[O-]
Chemical ID:
5672880
Name [?]:
(4-methoxy-3-methyl-phenyl)-[1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-2-(3-phenoxyphenyl)-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
Cc1cc(ccc1OC)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)c4cccc(c4)Oc5ccccc5)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C31H32N2O6
All Atoms:39
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:-41.547
Area:718.617
Solvation:-59.5125
Coulombic:-24.1063
Bond Count [?]
All:43
Single:31
Double:12
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:528.596
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.63
LogP (Chemaxon):1.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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