Chemical ID: 5413139

COc1cc(cc(c1OC)OC)C(=O)C=Cc2ccc(c(c2)[N+](=O)[O-])Cl
Chemical ID:
5413139
Name [?]:
3-(4-chloro-3-nitro-phenyl)-1-(3,4,5-trimethoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)C=Cc2ccc(c(c2)[N+](=O)[O-])Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16ClNO6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:1.79794
Area:568.157
Solvation:-12.406
Coulombic:-40.7957
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:377.775
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.58
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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