Chemical ID: 7016837

CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)[N+](=O)[O-])Cc4ccncc4)O
Chemical ID:
7016837
Name [?]:
4-(3-ethoxybenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(4-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)[N+](=O)[O-])Cc4ccncc4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H21N3O6
All Atoms:55
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:5.82252
Area:689.776
Solvation:-11.4219
Coulombic:-65.8626
Bond Count [?]
All:37
Single:24
Double:13
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:459.451
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.76
LogP (Chemaxon):2.03

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Experimental Annotations

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Descriptor Annotations

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