Chemical ID: 4401977

COc1ccccc1C=CC(=O)c2cc(ccc2OC(=O)c3ccc(cc3)[N+](=O)[O-])F
Chemical ID:
4401977
Name [?]:
[4-fluoro-2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] 4-nitrobenzoate
SMILES [?]:
COc1ccccc1C=CC(=O)c2cc(ccc2OC(=O)c3ccc(cc3)[N+](=O)[O-])F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H16FNO6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:4.79699
Area:612.847
Solvation:-10.5242
Coulombic:-50.7237
Bond Count [?]
All:33
Single:20
Double:13
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:421.375
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:5.19
LogP (Chemaxon):5.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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