Chemical ID: 5464607

CC(c1ccc(cc1)[N+](=O)[O-])c2nc(no2)c3ccc(c(c3)OC)OC
Chemical ID:
5464607
Name [?]:
3-(3,4-dimethoxyphenyl)-5-[1-(4-nitrophenyl)ethyl]-1,2,4-oxadiazole
SMILES [?]:
CC(c1ccc(cc1)[N+](=O)[O-])c2nc(no2)c3ccc(c(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17N3O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:3.99679
Area:573.641
Solvation:-10.3442
Coulombic:-38.4531
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:355.345
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.46
LogP (Chemaxon):3.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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