Chemical ID: 5707013

COCCN1C(C(=C(c2ccc(cc2)OC)O)C(=O)C1=O)c3ccc(c(c3)Cl)Cl
Chemical ID:
5707013
Name [?]:
5-(3,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
COCCN1C(C(=C(c2ccc(cc2)OC)O)C(=O)C1=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19Cl2NO5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.46198
Area:567.441
Solvation:-5.72404
Coulombic:-59.4393
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:436.285
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.52
LogP (Chemaxon):2.39

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Experimental Annotations

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Descriptor Annotations

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