Chemical ID: 6495326

Cc1c(non1)OCCOc2c(non2)C
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.

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