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Chemical ID: 6506736
Chemical ID:
6506736
Name [?]:
4-[(4-amino-1,2,5-oxadiazol-3-yl)oxymethoxy]-1,2,5-oxadiazol-3-amine
SMILES [?]:
C(Oc1c(non1)N)Oc2c(non2)N
InChi [?]:
InChI=1/C5H6N6O4/c6-2-4(10-14-8-2)12-1-13-5-3(7)9-15-11-5/h1H2,(H2,6,8)(H2,7,9)
InChi Info:
AuxInfo=1/1/N:1,4,11,3,10,8,15,5,12,7,14,2,9,6,13/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15nCOCCNONNOCCNONN/rB:s1;s2;s3;d4;s5;d3s6;s4;s1;s9;s10;d11;s12;d10s13;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H6N6O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.99355 |
Area: | 373.301 |
Solvation: | -2.33898 |
Coulombic: | -61.3047 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 214.139 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 1.64 |
LogP (Chemaxon): | 0.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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