Chemical ID: 5648646

COc1cc(ccc1OCC(=O)O)C(=O)C=Cc2cc(c(c(c2)Br)O)OC
Chemical ID:
5648646
Name [?]:
2-[4-[3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenoxy]acetic acid
SMILES [?]:
COc1cc(ccc1OCC(=O)O)C(=O)C=Cc2cc(c(c(c2)Br)O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17BrO7
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:5.39469
Area:599.571
Solvation:-9.59459
Coulombic:-71.6102
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:437.238
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.1
LogP (Chemaxon):3.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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