Chemical ID: 4864621

C=CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[N+](=O)[O-])CCN4CCOCC4)O
Chemical ID:
4864621
Name [?]:
4-(4-allyloxybenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-5H-pyrrol-2-one
SMILES [?]:
C=CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[N+](=O)[O-])CCN4CCOCC4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H27N3O7
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:6.35848
Area:752.928
Solvation:-12.4647
Coulombic:-76.0414
Bond Count [?]
All:39
Single:28
Double:11
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:493.509
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:2.95
LogP (Chemaxon):0.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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