Chemical ID: 4901352

COc1ccc(cc1)C(=O)Oc2ccc3c(c2)OC(=Cc4ccc(cc4)Br)C3=O
Chemical ID:
4901352
Name [?]:
[2-[(4-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc3c(c2)OC(=Cc4ccc(cc4)Br)C3=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H15BrO5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8366
Area:631.261
Solvation:-3.9449
Coulombic:-46.1111
Bond Count [?]
All:32
Single:20
Double:12
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:451.266
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.85
LogP (Chemaxon):5.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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