Chemical ID: 4354600

CCCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3
Chemical ID:
4354600
Name [?]:
1-butyl-3-hydroxy-4-(4-nitrobenzoyl)-5-phenyl-5H-pyrrol-2-one
SMILES [?]:
CCCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20N2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:5.23542
Area:591.935
Solvation:-9.56295
Coulombic:-55.4265
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:380.394
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.32
LogP (Chemaxon):3.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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