Chemical ID: 5996686

COc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4ccc(cc4)[N+](=O)[O-]
Chemical ID:
5996686
Name [?]:
[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-nitrophenyl)-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4ccc(cc4)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18N4O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:5.67858
Area:610.196
Solvation:-9.57633
Coulombic:-48.5755
Bond Count [?]
All:32
Single:22
Double:10
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:394.381
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.71
LogP (Chemaxon):3.19

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