Chemical ID: 4197682

CC(=O)C1=C(C(=O)N(C1c2cccc(c2)[N+](=O)[O-])CCc3ccccc3)O
Chemical ID:
4197682
Name [?]:
4-acetyl-3-hydroxy-5-(3-nitrophenyl)-1-phenethyl-5H-pyrrol-2-one
SMILES [?]:
CC(=O)C1=C(C(=O)N(C1c2cccc(c2)[N+](=O)[O-])CCc3ccccc3)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18N2O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:4.54417
Area:577.347
Solvation:-9.88949
Coulombic:-53.4329
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.367
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.12
LogP (Chemaxon):2.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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