Chemical ID: 4401435

COc1ccccc1C=CC(=O)c2cc(ccc2OC(=O)c3ccccc3Br)F
Chemical ID:
4401435
Name [?]:
[4-fluoro-2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] 2-bromobenzoate
SMILES [?]:
COc1ccccc1C=CC(=O)c2cc(ccc2OC(=O)c3ccccc3Br)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H16BrFO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.58206
Area:584.205
Solvation:-5.02306
Coulombic:-40.273
Bond Count [?]
All:31
Single:19
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:455.273
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.22
LogP (Chemaxon):5.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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