Chemical ID: 4530387

CCOc1cc(ccc1OCCOc2ccccc2)C=C(C#N)C(=O)OCC
Chemical ID:
4530387
Name [?]:
ethyl 2-cyano-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-prop-2-enoate
SMILES [?]:
CCOc1cc(ccc1OCCOc2ccccc2)C=C(C#N)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23NO5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.8632
Area:654.705
Solvation:-7.50442
Coulombic:-45.2998
Bond Count [?]
All:29
Single:20
Double:8
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:381.422
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.45
LogP (Chemaxon):3.83

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue