Chemical ID: 4822035

Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)[N+](=O)[O-])CC=C)O
Chemical ID:
4822035
Name [?]:
1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(3-nitrophenyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)[N+](=O)[O-])CC=C)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H18N2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:5.92426
Area:599.269
Solvation:-9.05747
Coulombic:-56.923
Bond Count [?]
All:30
Single:19
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:378.378
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.02
LogP (Chemaxon):3.39

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Descriptor Annotations

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