Chemical ID: 4719210

COc1ccc(cc1)C(=O)CCC#N
Chemical ID:
4719210
Name [?]:
4-(4-methoxyphenyl)-4-oxo-butanenitrile
SMILES [?]:
COc1ccc(cc1)C(=O)CCC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H11NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.00107
Area:386.654
Solvation:-3.66527
Coulombic:-16.837
Bond Count [?]
All:14
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:189.211
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.26
LogP (Chemaxon):1.23

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