Chemical ID: 5690630

C=CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)c4ccc(cc4)N(=O)=O)[O-]
Chemical ID:
5690630
Name [?]:
(4-allyloxyphenyl)-[2-(4-nitrophenyl)-1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
C=CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)c4ccc(cc4)N(=O)=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H29N3O7
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:-46.3342
Area:735.51
Solvation:-64.722
Coulombic:-28.7196
Bond Count [?]
All:40
Single:28
Double:12
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:507.535
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:2.79
LogP (Chemaxon):0.06

Name Annotations

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Descriptor Annotations

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