Chemical ID: 5652754

COc1ccc(cc1C=CC(=O)c2ccc(c(c2)OC)OCC(=O)O)Br
Chemical ID:
5652754
Name [?]:
2-[4-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenoxy]acetic acid
SMILES [?]:
COc1ccc(cc1C=CC(=O)c2ccc(c(c2)OC)OCC(=O)O)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17BrO6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:6.54512
Area:589.077
Solvation:-8.18181
Coulombic:-56.2816
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:421.239
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.5
LogP (Chemaxon):3.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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