Chemical ID: 5708621

C=CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)c4ccncc4)[O-]
Chemical ID:
5708621
Name [?]:
(4-allyloxyphenyl)-[1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-2-(4-pyridyl)pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
C=CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)c4ccncc4)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H29N3O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:-42.3113
Area:684.108
Solvation:-59.414
Coulombic:-21.2047
Bond Count [?]
All:37
Single:27
Double:10
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:463.526
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.64
LogP (Chemaxon):-1.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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