Chemical ID: 4161423

Cc1ccc(c(c1)OCC(=O)Oc2ccc(cc2OC)C=C(C#N)c3ccc(cc3)Cl)C
Chemical ID:
4161423
Name [?]:
[4-[2-(4-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenyl] 2-(2,5-dimethylphenoxy)acetate
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Oc2ccc(cc2OC)C=C(C#N)c3ccc(cc3)Cl)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H22ClNO4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.0091
Area:715.876
Solvation:-5.88782
Coulombic:-39.7241
Bond Count [?]
All:34
Single:22
Double:11
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:447.91
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.86
LogP (Chemaxon):6.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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