Chemical ID: 5615901

c1cc(ccc1C(=O)C=Cc2ccc3c(c2)OCCO3)Cl
Chemical ID:
5615901
Name [?]:
1-(4-chlorophenyl)-3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)prop-2-en-1-one
SMILES [?]:
c1cc(ccc1C(=O)C=Cc2ccc3c(c2)OCCO3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H13ClO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.33062
Area:481.738
Solvation:-3.71282
Coulombic:-26.7922
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:300.736
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.09
LogP (Chemaxon):3.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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