Chemical ID: 5582858

Cn1c2ccccc2nc1C(=Cc3ccc(c(c3)OC)OC(F)F)C#N
Chemical ID:
5582858
Name [?]:
3-[4-(difluoromethoxy)-3-methoxy-phenyl]-2-(1-methylbenzoimidazol-2-yl)-prop-2-enenitrile
SMILES [?]:
Cn1c2ccccc2nc1C(=Cc3ccc(c(c3)OC)OC(F)F)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15F2N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.7332
Area:510.774
Solvation:-5.03616
Coulombic:-43.7895
Bond Count [?]
All:28
Single:19
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:355.338
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.76
LogP (Chemaxon):4.59

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