Chemical ID: 5679419

Cc1ccc(cc1)C2C(=C(c3ccccc3)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4
Chemical ID:
5679419
Name [?]:
[1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-2-(p-tolyl)pyrrolidin-3-ylidene]-phenyl-methanolate
SMILES [?]:
Cc1ccc(cc1)C2C(=C(c3ccccc3)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H26N2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:-42.4926
Area:611.508
Solvation:-57.7803
Coulombic:-8.9343
Bond Count [?]
All:33
Single:24
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:406.474
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.44
LogP (Chemaxon):0.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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