Chemical ID: 5641717

COc1ccc(cc1C2=NC(=Cc3ccccc3C(F)(F)F)C(=O)O2)Br
Chemical ID:
5641717
Name [?]:
2-(5-bromo-2-methoxy-phenyl)-4-[[2-(trifluoromethyl)phenyl]methylene]oxazol-5-one
SMILES [?]:
COc1ccc(cc1C2=NC(=Cc3ccccc3C(F)(F)F)C(=O)O2)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H11BrF3NO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.68557
Area:522.677
Solvation:-3.38135
Coulombic:-53.895
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:426.184
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.42
LogP (Chemaxon):5.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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