Chemical ID: 5284172

c1cc(ccc1C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccc(cc4)Cl)[N+](=O)[O-]
Chemical ID:
5284172
Name [?]:
[2-[(4-nitrophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-chlorobenzoate
SMILES [?]:
c1cc(ccc1C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccc(cc4)Cl)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H12ClNO6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:7.77441
Area:636.595
Solvation:-8.14046
Coulombic:-50.8279
Bond Count [?]
All:33
Single:20
Double:13
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:421.787
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:5.53
LogP (Chemaxon):5.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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