Chemical ID: 4891617

COCCCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4cccc(c4)Cl
Chemical ID:
4891617
Name [?]:
5-(3-chlorophenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
COCCCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4cccc(c4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H22ClNO6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.32073
Area:659.075
Solvation:-7.15615
Coulombic:-66.6927
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:443.877
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.61
LogP (Chemaxon):1.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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