Chemical ID: 4336640

COc1cc(ccc1OCC=C)C=CC(=O)c2cccc(c2)[N+](=O)[O-]
Chemical ID:
4336640
Name [?]:
3-(4-allyloxy-3-methoxy-phenyl)-1-(3-nitrophenyl)-prop-2-en-1-one
SMILES [?]:
COc1cc(ccc1OCC=C)C=CC(=O)c2cccc(c2)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17NO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:2.63103
Area:564.694
Solvation:-11.4863
Coulombic:-35.7313
Bond Count [?]
All:26
Single:16
Double:10
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:339.342
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.79
LogP (Chemaxon):4.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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