Chemical ID: 4401893

COc1ccc(cc1OC)C=CC(=O)c2cc(ccc2OC(=O)c3ccc(cc3)[N+](=O)[O-])F
Chemical ID:
4401893
Name [?]:
[2-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluoro-phenyl] 4-nitrobenzoate
SMILES [?]:
COc1ccc(cc1OC)C=CC(=O)c2cc(ccc2OC(=O)c3ccc(cc3)[N+](=O)[O-])F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H18FNO7
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:3.42465
Area:648.195
Solvation:-12.7802
Coulombic:-56.6319
Bond Count [?]
All:35
Single:22
Double:13
Rotors:9
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:451.401
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:4.84
LogP (Chemaxon):4.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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