Chemical ID: 4899691

CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc3cccc(c3)Cl)C2=O
Chemical ID:
4899691
Name [?]:
ethyl 2-[2-[(3-chlorophenyl)methylene]-3-oxo-benzofuran-6-yl]oxypropanoate
SMILES [?]:
CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc3cccc(c3)Cl)C2=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17ClO5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.8278
Area:597.58
Solvation:-4.11174
Coulombic:-46.3183
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:372.799
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.82
LogP (Chemaxon):4.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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