Chemical ID: 4155050

COc1cc(ccc1OC(=O)CCCOc2ccc(cc2Cl)Cl)C=C(C#N)C(=O)OC
Chemical ID:
4155050
Name [?]:
[4-(2-cyano-2-methoxycarbonyl-vinyl)-2-methoxy-phenyl] 4-(2,4-dichlorophenoxy)butanoate
SMILES [?]:
COc1cc(ccc1OC(=O)CCCOc2ccc(cc2Cl)Cl)C=C(C#N)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H19Cl2NO6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.5471
Area:729.096
Solvation:-6.68033
Coulombic:-55.6323
Bond Count [?]
All:32
Single:22
Double:9
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:464.295
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:5.04
LogP (Chemaxon):4.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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