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Chemical ID: 5260876
Chemical ID:
5260876
Name [?]:
5-[(5-imino-4H-1,3,4-oxadiazol-2-yl)methyl]-3H-1,3,4-oxadiazol-2-imine
SMILES [?]:
C(c1n[nH]c(=N)o1)c2n[nH]c(=N)o2
InChi [?]:
InChI=1/C5H6N6O2/c6-4-10-8-2(12-4)1-3-9-11-5(7)13-3/h1H2,(H2,6,10)(H2,7,11)
InChi Info:
AuxInfo=1/1/N:1,2,8,5,11,6,12,3,9,4,10,7,13/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/gE:(1,2)/rA:13nCCNNCNOCNNCNO/rB:s1;d2;s3;s4;w5;s2s5;s1;d8;s9;s10;w11;s8s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H6N6O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.80856 |
Area: | 343.363 |
Solvation: | -2.77551 |
Coulombic: | -61.7325 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 182.14 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.69 |
LogP (Chemaxon): | 0.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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