Chemical ID: 4402982

COc1ccc(c(c1)OC(=O)c2ccc(cc2)[N+](=O)[O-])C(=O)C=Cc3ccc(cc3)Cl
Chemical ID:
4402982
Name [?]:
[2-[3-(4-chlorophenyl)prop-2-enoyl]-5-methoxy-phenyl] 4-nitrobenzoate
SMILES [?]:
COc1ccc(c(c1)OC(=O)c2ccc(cc2)[N+](=O)[O-])C(=O)C=Cc3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H16ClNO6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:5.90163
Area:627.225
Solvation:-9.779
Coulombic:-48.019
Bond Count [?]
All:33
Single:20
Double:13
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:437.829
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:5.66
LogP (Chemaxon):5.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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