Chemical ID: 4661366

CCCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)C)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4661366
Name [?]:
1-butyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)C)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H22N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:6.26058
Area:615.317
Solvation:-9.12233
Coulombic:-56.075
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:394.421
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.75
LogP (Chemaxon):3.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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