Chemical ID: 5644809

c1ccc(cc1)CC(=O)c2cc3c(cc2Cl)OCCO3
Chemical ID:
5644809
Name [?]:
1-(8-chloro-2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-9-yl)-2-phenyl-ethanone
SMILES [?]:
c1ccc(cc1)CC(=O)c2cc3c(cc2Cl)OCCO3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H13ClO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.37676
Area:461.285
Solvation:-4.15537
Coulombic:-24.2182
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:288.725
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.63
LogP (Chemaxon):3.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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