ChemDB: Chemical Search
Download
Chemical ID: 6495326
Chemical ID:
6495326
Name [?]:
3-methyl-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethoxy]-1,2,5-oxadiazole
SMILES [?]:
Cc1c(non1)OCCOc2c(non2)C
InChi [?]:
InChI=1/C8H10N4O4/c1-5-7(11-15-9-5)13-3-4-14-8-6(2)10-16-12-8/h3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,8,9,2,12,3,11,6,13,4,15,7,10,5,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCCNONOCCOCCNONC/rB:s1;s2;d3;s4;d2s5;s3;s7;s8;s9;s10;s11;d12;s13;d11s14;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N4O4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.48339 |
Area: | 413.976 |
Solvation: | -2.86602 |
Coulombic: | -24.2119 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.19 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.78 |
LogP (Chemaxon): | 0.8 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|