Chemical ID: 4447304

c1ccc(cc1)C2=NOC(=O)C2=Cc3ccc(o3)c4ccc(cc4Br)[N+](=O)[O-]
Chemical ID:
4447304
Name [?]:
4-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-3-phenyl-isoxazol-5-one
SMILES [?]:
c1ccc(cc1)C2=NOC(=O)C2=Cc3ccc(o3)c4ccc(cc4Br)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H11BrN2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:4.52953
Area:532.127
Solvation:-8.77366
Coulombic:-35.1834
Bond Count [?]
All:31
Single:19
Double:12
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:439.216
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.39
LogP (Chemaxon):5.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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