Chemical ID: 4334760

COCCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4334760
Name [?]:
4-benzoyl-3-hydroxy-1-(2-methoxyethyl)-5-(4-nitrophenyl)-5H-pyrrol-2-one
SMILES [?]:
COCCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18N2O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:4.50496
Area:560.72
Solvation:-9.51303
Coulombic:-63.7351
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:382.367
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.78
LogP (Chemaxon):2.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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